(2-氯-5-甲氧基苯基)甲醇 | 101252-66-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2-氯-5-甲氧基苯基)甲醇
• 英文名称: (2-chloro-5-methoxyphenyl)methanol
• 英文别名: 2-Chlor-5-methoxy-benzylalkohol
• CAS: 101252-66-8
• 化学式: C₈H₉ClO₂
• 分子量: 172.611
• InChiKey: CRJPVLAIROZFMX-UHFFFAOYSA-N

物化性质

• 沸点：
  282℃
• 密度：
  1.239
• 闪点：
  124℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2909499000

SDS

---

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : (2-Chloro-5-Methoxyphenyl)Methanol
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

---

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
Eye irritation (Category 2), H319
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn Harmful R22
R36
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
H319 Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

---

SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 172,61 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
(2-Chloro-5-Methoxyphenyl)Methanol
Acute Tox. 4; Eye Irrit. 2; <= 100 %
H302, H319
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
(2-Chloro-5-Methoxyphenyl)Methanol
Xn, R22R36 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

---

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

---

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

---

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

---

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

---

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

---

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

---

SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

---

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

---

SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

---

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

---

SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

---

SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

---

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
Eye Irrit. Eye irritation
H302 Harmful if swallowed.
H319 Causes serious eye irritation.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
R36 Irritating to eyes.
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  (2-氯-5-甲氧基苯基)甲醇 在 吡啶 、 lithium aluminium tetrahydride 、 sodium ethanolate 、 三溴化磷 作用下， 以 乙醇 为溶剂， 生成 β-(2-Chlor-5-methoxybenzyl)-glutarsaeure-monoamid
  参考文献：
  名称：

  Total Synthesis of Tetracyclines.¹ III.² Synthesis of a Tricyclic Model System

  摘要：

  DOI：

  10.1021/jo01062a001
• 作为产物：
  描述：

  2-氯-5-甲氧基苯甲酸甲酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (2-氯-5-甲氧基苯基)甲醇
  参考文献：
  名称：

  一些与四环素有关的四氢萘酮的合成

  摘要：

  5-氯-8-甲氧基-1-四氢萘酮（XIV），6,8-二甲氧基-1-四氢萘酮（XIX），2-乙氧基-6,8-二甲氧基-1-四氢萘酮（VI），3-（ 2'-氯-5'-甲氧基苄基）-6,8-二甲氧基-1-四氢萘酮（III）和2-甲乙氧基-3-（2'-氯-5'-甲氧基苄基）-6,8-二甲氧基-1-报告了四氢萘酮（IV）。描述了用I和相关化合物的多磷酸环化的方式。

  DOI：

  10.1016/s0040-4020(01)99309-3

文献信息

• SUBSTITUTED QUINAZOLINES AS FUNGICIDES
  申请人：Quaranta Laura

  公开号：US20120129875A1

  公开（公告）日：2012-05-24

  The present invention relates to a compound of formula (I) wherein the substituents have the definitions as defined in claim 1 or a salt or a N-oxide thereof, their use and methods for the control and/or prevention of microbial infection, particularly fungal infection, in plants and to processes for the preparation of these compounds.

  本发明涉及一种具有如权利要求1中定义的取代基定义的化合物的公式(I)，或其盐或N-氧化物，它们的用途以及用于控制和/或预防植物中微生物感染，特别是真菌感染的方法，以及制备这些化合物的方法。
• [EN] INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF<br/>[FR] INHIBITEURS DE FACTEURS DU COMPLÉMENT ET LEURS UTILISATIONS
  申请人：ANNEXON INC

  公开号：WO2022020244A1

  公开（公告）日：2022-01-27

  Disclosed are compounds of formula I and II and pharmaceutically acceptable salts thereof. Also disclosed are methods of treating a neurodegenerative disorder, an inflammatory disease, an autoimmune disease, an ophthalmic disease or a metabolic disorder using the compounds disclosed herein.

  揭示了式I和II的化合物及其药用盐。还披露了使用此处披露的化合物治疗神经退行性疾病、炎症性疾病、自身免疫疾病、眼科疾病或代谢性疾病的方法。
• Design and synthesis of an N-benzyl 5-(4-sulfamoylbenzylidene-2-thioxothiazolidin-4-one scaffold as a novel NLRP3 inflammasome inhibitor
  作者：Dongxu Zuo、Nayeon Do、Inhwa Hwang、Jihyae Ann、Je-Wook Yu、Jeewoo Lee

  DOI：10.1016/j.bmcl.2022.128693

  日期：2022.6

  lidin-4-one analogs, designed as hybrids of CY09 and JC121, were investigated as inhibitors of NLRP3 inflammasome activation. Among them, compounds 34 and 36 were identified as promising NLRP3 inhibitors by measuring the amount of active caspase-1 p20 and IL-1β produced by NLRP3 inflammasome activation. Further studies indicated that both compounds inhibited NLRP3 inflammasome assembly by reducing

  一系列N-苄基 5-(4-sulfamoylbenzylidene-2-thioxothiazolidin-4-one 类似物，设计为 CY09 和 JC121 的杂合体，被研究作为 NLRP3 炎性体激活的抑制剂。其中，化合物34和36被确定为有前景的化合物NLRP3 抑制剂通过测量由 NLRP3 炎性体激活产生的活性 caspase-1 p20 和 IL-1β 的量。进一步的研究表明，这两种化合物通过减少 NLRP3 和 ASC 寡聚体斑点的形成来抑制 NLRP3 炎性体组装，并选择性地仅抑制 NLRP3 炎性体活化和不是其他炎症小体，例如 NLRC4 和 AIM2。
• 2-Substituted quinolines, their preparation and use
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0206751A2

  公开（公告）日：1986-12-30

  Compounds having the formula: are selective antagonists of leukotrienes of D4. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents and may be made up into pharmaceutical compositions. In the formula R1 is H, halogen, C1-C8 alkyl, C2-C8 alkenyl, C2-C8 alkynyl, -CF3, -OR2, -SR2, -NR2R2, -CHO, -COOR2, -(C=O)R2, -C(OH)R2R2, -CN, -N02, substituted or unsubstituted phenyl, substituted or unsubstituted benzyl, or substituted or unsubstituted phenethyl; R2 is H, C1-C8 alkyl, C2-C8 alkenyl, C2-C8 alkynyl, -CF3, substituted or unsubstituted phenyl, substituted or unsubstituted benzyl, or substituted or unsubstituted phenethyl; R3 is -(A)m-(CR2=CR2)p-(CR2R2)m-Q; R4 is H, halogen, -N02, -CN, -OR2, -SR2, NR2R2, or C1-C8 alkyl; R5 is -(CH2)s-C-(CH2)s-R7; R6 is H or C1-C4 alkyl; R7 is A) a monocyclic or bicyclic heterocyclic radical containing from 3 to 12 nuclear carbon atoms and 1 or 2 nuclear heteroatoms selected from N and S with at least one being N, and with each ring in the heterocyclic radical being formed of 5 or 6 atoms, or B) the radical W-Rs; RS contains up to 21 carbon atoms and is (1) a hydrocarbon radical or (2) an acyl radical of an organic acyclic or monocyclic carboxylic acid containing not more than 1 heteroatom in the ring; R9 is -OR10, -SR10, or NR10R10; R10 is H, C1-C6 alkyl, -(C=O)R11, unsubstituted phenyl or unsubstituted benzyl; R11 is H, C1-C8 alkyl, C2-C8 alkenyl, C2-C8 alkynyl, -CF3, or unsubstituted phenyl, benzyl, or phenethyl; m is 0-8; n is 1 or 2; p is 0-2; s is 0-3; A is -CR2R4-, or =C=O; Q is -COOR2, tetrazole, -COOR5, -COCH2OH, -CONHSO2R11, -CH2OH, -CN, -CONR10R10, -NHSO2R11 (but only when the sum of m and p in R3 is greater than 0), or if Q is COOH and R3 contains an R4 which is -OH, -SH, or -NHR2 then Q and R4 and the carbons through which they are attached may form a heterocyclic ring with loss of water; W is O, S, or NH; X is O, S, -SO, -S02, or -NR2; Y is -(CR2=CR2)n-, -(C≡C)n-, -CR2R2-X-, or-X-CR2R2-.

  具有以下式子的化合物 是白三烯 D4 的选择性拮抗剂。这些化合物可用作抗哮喘、抗过敏、抗炎和细胞保护剂，并可制成药物组合物。式中 R1 是 H、卤素、C1-C8 烷基、C2-C8 烯基、C2-C8 炔基、-CF3、-OR2、-SR2、-NR2R2、-CHO、-COOR2、-(C=O)R2、-C(OH)R2R2、-CN、-N02、取代或未取代的苯基、取代或未取代的苄基、取代或未取代的苯乙基； R2 是 H、C1-C8 烷基、C2-C8 烯基、C2-C8 炔基、-CF3、取代或未取代的苯基、取代或未取代的苄基、或取代或未取代的苯乙基； R3 是-(A)m-(CR2=CR2)p-(CR2R2)m-Q； R4 是 H、卤素、-N02、-CN、-OR2、-SR2、NR2R2 或 C1-C8 烷基； R5 是-(CH2)s-C-(CH2)s-R7； R6 是 H 或 C1-C4 烷基； R7 是 A) 单环或双环杂环基，含有 3 至 12 个核碳原子和 1 或 2 个核杂原子，杂原子选自 N 和 S，其中至少一个为 N，杂环基中的每个环由 5 或 6 个原子组成，或 B) 基 W-Rs； RS 含有多达 21 个碳原子，且 (1) 是烃基或 (2) 是有机无环或单环羧酸的酰基，环中含有不超过 1 个杂原子； R9 是-OR10、-SR10 或 NR10R10； R10 是 H、C1-C6 烷基、-(C=O)R11、未取代苯基或未取代苄基； R11 是 H、C1-C8 烷基、C2-C8 烯基、C2-C8 炔基、-CF3 或未取代苯基、苄基或苯乙基； m 为 0-8 n 是 1 或 2 p 为 0-2 s 是 0-3； A 是-CR2R4-，或 =C=O； Q为-COOR2、四唑、-COOR5、-COCH2OH、-CONHSO2R11、-CH2OH、-CN、-CONR10R10、-NHSO2R11（但仅当 R3 中 m 和 p 之和大于 0 时），或者如果 Q 为 COOH，且 R3 中含有-OH、-SH 或-NHR2 的 R4，则 Q 和 R4 以及连接它们的碳原子可在失水的情况下形成杂环； W 是 O、S 或 NH； X 是 O、S、-SO、-S02 或-NR2； Y 是-(CR2=CR2)n-、-(C≡C)n-、-CR2R2-X-或-X-CR2R2-。
• NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP1048666A1

  公开（公告）日：2000-11-02

  Novel fused tetracyclic heterocyclic compounds having a potent and highly selective effect of inhibiting cyclic GMP phosphodiesterase (cGMP-PDE) and a high safety; a process for producing the same; drugs characterized by containing at least one of these compounds as the active ingredient, in particular, preventives and/or remedies for pulmonary hypertension, ischemic heart diseases, erectile insufficiency, female sexual dysfunction or diseases against which cGMP-PDE inhibitory effects are efficacious and intermediates useful in producing the above compounds.

  新型融合四环杂环化合物，具有抑制环 GMP 磷酸二酯酶（cGMP-PDE）的强效和高选择性作用，且安全性高；其生产工艺；以含有至少一种上述化合物作为活性成分为特征的药物，特别是肺动脉高压、缺血性心脏病、勃起功能障碍、女性性功能障碍或 cGMP-PDE 抑制作用有效的疾病的预防和/或治疗药物，以及用于生产上述化合物的中间体。