摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

2-甲氧基苯并噻唑 | 63321-86-8

中文名称
2-甲氧基苯并噻唑
中文别名
——
英文名称
2-methoxybenzothiazole
英文别名
2-(methoxy)benzo[d]thiazole;2-Methoxy-benzothiazol;2-Methoxy-benzthiazol;2-methoxy-1,3-benzothiazole
2-甲氧基苯并噻唑化学式
CAS
63321-86-8
化学式
C8H7NOS
mdl
MFCD00085624
分子量
165.216
InChiKey
OJKLTHIQRARJCE-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    34-38°C
  • 沸点:
    119 °C(Press: 30 Torr)
  • 密度:
    1.268±0.06 g/cm3(Predicted)
  • 闪点:
    110℃

计算性质

  • 辛醇/水分配系数(LogP):
    2.6
  • 重原子数:
    11
  • 可旋转键数:
    1
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.125
  • 拓扑面积:
    50.4
  • 氢给体数:
    0
  • 氢受体数:
    3

安全信息

  • WGK Germany:
    3

SDS

SDS:e682179756fd1004ab030d16f266e9f8
查看

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-Methoxybenzothiazole
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.
CAS-No. : 63321-86-8
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
Stench.

SECTION 3: Composition/information on ingredients
Substances
Formula : C8H7NOS
Molecular Weight : 165,21 g/mol
CAS-No. : 63321-86-8
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2-Methoxybenzothiazole
CAS-No. 63321-86-8 Acute Tox. 4; Eye Irrit. 2; <= 100 %
H302, H319
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
2-Methoxybenzothiazole
CAS-No. 63321-86-8 Xn, R22 - R36 <= 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
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting 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.
Specific end use(s)
A part 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: powder, crystalline
Colour: white, tan
b) Odour Stench.
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 34 - 38 °C
point
f) Initial boiling point and 80 - 100 °C at 7 hPa
boiling range
g) Flash point 110 °C
h) Evapouration 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- log Pow: 2,517
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
Other decomposition products - no data available
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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
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: 3335
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Aviation regulated solid, n.o.s. (2-Methoxybenzothiazole)
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: 9
Packaging group
ADR/RID: - IMDG: - IATA: III
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • HETEROBICYCLIC COMPOUNDS
    申请人:Amgen Inc.
    公开号:US20130225552A1
    公开(公告)日:2013-08-29
    Heterobicyclic compounds of Formula (I): or a pharmaceutically-acceptable salt, tautomer, or stereoisomer thereof, as defined in the specification, and compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, Huntington's Disease, and the like.
    Formula (I)的杂环化合物: 或其药用可接受的盐、互变异构体或立体异构体,如规范中所定义,并含有它们的组合物,以及制备这种化合物的方法。本文还提供了通过抑制PDE10来治疗由此可治疗的疾病或疾病的方法,如肥胖症、非胰岛素依赖型糖尿病、精神分裂症、躁郁症、强迫症、亨廷顿病等。
  • Metal- and Oxidant-Free Electrochemical Oxidative Desulfurization C–O Coupling of Thiourea-Type Compounds with Alcohols
    作者:Zheng-Jun Quan、Xi-Cun Wang、Zheng-He Zhu、Ming-Zhe Ren、Bao-Qian Cao
    DOI:10.1055/s-0039-1690837
    日期:2020.6

    An efficient desulfurization C–O coupling reaction of 3,4-dihydropyrimidine-2(1H)-thiones (including thioureas) with alcohols was developed under electrochemical oxidation conditions. Herein, transition­-metal catalysts and additives are not required and the alcohol is both the solvent and the alkoxy donor.

    一种高效的脱C-O偶联反应是在电化学氧化条件下开发的,该反应使用3,4-二氢嘧啶-2(1H)-酮(包括硫脲)与醇的反应。在这种反应中,不需要过渡属催化剂和添加剂,醇既是溶剂又是烷氧基供体。
  • 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE
    申请人:Horiuchi Yoshihiro
    公开号:US20120225876A1
    公开(公告)日:2012-09-06
    Disclosed is a compound represented by formula (1) or a pharmacologically acceptable salt thereof (In the formula, A represents a group that is represented by formula (A-1); R 1a and R 1b may be the same or different and each independently represents a C 1-6 alkyl group which may be substituted by one to three halogen atoms; m and n each independently represents an integer of 0-5; X 1 represents a hydroxyl group or an aminocarbonyl group; Z 1 represents a single bond or the like; and R 2 represents an optionally substituted C 1-6 alkyl group, an optionally substituted C 6-10 aryl group or the like.)
    公开了一种由公式(1)表示的化合物或其药理可接受的盐(在公式中,A代表由公式(A-1)表示的基团;R1a和R1b可以相同或不同,每个独立地表示一个可以由一个到三个卤素原子取代的C1-6烷基;m和n各自独立地表示0-5之间的整数;X1代表羟基或基甲酰基;Z1代表单键等;R2代表一个可选地取代的C1-6烷基,一个可选地取代的C6-10芳基等)。
  • Substituted phenylalkanoic acid derivatives and use thereof
    申请人:——
    公开号:US20040044258A1
    公开(公告)日:2004-03-04
    A compound represented by the formula (I) or a salt thereof: 1 wherein n represents an integer of 1 to 3, R represents an alkyl group having 3 to 8 carbon atoms, a group represented by the following formula: R 1 (CH 2 ) k — (wherein k represents 0 or an integer of 1 to 3; R 1 represents a saturated cyclic alkyl group having 3 to 7 carbon atoms or a saturated condensed cyclic alkyl group having 6 to 8 carbon atoms, and the group R 1 may be substituted with a lower alkyl group having 1 to 4 carbon atoms) and the like, and Ar represents a condensed bicyclic group such as naphthalen-1-yl group, which has suppressing action on prostaglandin and leukotriene production and is useful for prophylactic and/or therapeutic treatment of various inflammatory diseases and the like caused by these lipid mediators.
    化合物的化学式为(I)或其盐: 其中n表示1到3的整数,R表示具有3到8个碳原子的烷基基团,由以下化学式表示的基团:R1(CH2)k—(其中k表示0或1到3的整数;R1表示具有3到7个碳原子的饱和环烷基基团或具有6到8个碳原子的饱和紧凑环烷基基团,基团R1可以被具有1到4个碳原子的较低烷基基团取代)等,Ar表示如-1-基团等的紧凑双环基团,具有对前列腺素白三烯生成的抑制作用,对由这些脂质介质引起的各种炎症性疾病等的预防和/或治疗治疗有用。
  • Thieme Chemistry Journal Awardees - Where Are They Now? Stereoselective Synthesis of Z-Configured α,β-Unsaturated Macrocyclic Lactones and Diolides by Intramolecular Julia-Kocienski Olefination
    作者:Paul Blakemore、Heath Giesbrecht、Brian Knight、Nicole Tanguileg、Christopher Emerson
    DOI:10.1055/s-0029-1219185
    日期:2010.2
    acid with either ω-alkenols or α,ω-diols, followed by ozonolysis or Dess―Martin oxidation as appropriate, underwent intramolecular Julia―Kocienski olefination when treated with DBU. Macrocyclic α,β-unsaturated lactones of between 12- and 19-membered ring sizes were formed successfully using this tactic (24―44% yield, Z/E ≥ 3.5:1); however, diolides were selectively produced from precursors intended
    由(苯并噻唑-2-基磺酰基)乙酸与 ω-烯醇或 α,ω-二醇酯化,然后进行臭氧分解或 Dess-Martin 氧化(视情况而定)衍生的 ω-磺醛,在用DBU。使用该策略成功地形成了 12 至 19 元环大小的大环 α,β-不饱和内酯(产率 24-44%,Z/E ≥ 3.5:1);然而,二内酯是由旨在靶向七至九元环内酯的前体选择性生产的(产率 13-70%,ZZ/ZE ≥ 2:1)。
查看更多

表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
查看更多图谱数据,请前往“摩熵化学”平台
查看更多图谱数据,请前往“摩熵化学”平台
cnmr
查看更多图谱数据,请前往“摩熵化学”平台
查看更多图谱数据,请前往“摩熵化学”平台
  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
查看更多图谱数据,请前往“摩熵化学”平台
Assign
Shift(ppm)
查看更多图谱数据,请前往“摩熵化学”平台
测试频率
样品用量
溶剂
溶剂用量
查看更多图谱数据,请前往“摩熵化学”平台

同类化合物

(1Z)-1-(3-乙基-5-羟基-2(3H)-苯并噻唑基)-2-丙酮 齐拉西酮砜 齐帕西酮-d8 阳离子蓝NBLH 阳离子荧光黄4GL 锂2-(4-氨基苯基)-5-甲基-1,3-苯并噻唑-7-磺酸酯 铜酸盐(4-),[2-[2-[[2-[3-[[4-氯-6-[乙基[4-[[2-(硫代氧代)乙基]磺酰]苯基]氨基]-1,3,5-三嗪-2-基]氨基]-2-(羟基-kO)-5-硫代苯基]二氮烯基-kN2]苯基甲基]二氮烯基-kN1]-4-硫代苯酸根(6-)-kO]-,(1:4)氢,(SP-4-3)- 铜羟基氟化物 钾2-(4-氨基苯基)-5-甲基-1,3-苯并噻唑-7-磺酸酯 钠3-(2-{(Z)-[3-(3-磺酸丙基)-1,3-苯并噻唑-2(3H)-亚基]甲基}[1]苯并噻吩并[2,3-d][1,3]噻唑-3-鎓-3-基)-1-丙烷磺酸酯 邻氯苯骈噻唑酮 西贝奈迪 螺[3H-1,3-苯并噻唑-2,1'-环戊烷] 螺[3H-1,3-苯并噻唑-2,1'-环己烷] 葡萄属英A 草酸;N-[1-[4-(2-苯基乙基)哌嗪-1-基]丙-2-基]-2-丙-2-基氧基-1,3-苯并噻唑-6-胺 苯酰胺,N-2-苯并噻唑基-4-(苯基甲氧基)- 苯酚,3-[[2-(三苯代甲基)-2H-四唑-5-基]甲基]- 苯胺,N-(3-苯基-2(3H)-苯并噻唑亚基)- 苯碳杂氧杂脒,N-1,2-苯并异噻唑-3-基- 苯甲酸,4-(6-辛基-2-苯并噻唑基)- 苯甲基2-甲基哌啶-1,2-二羧酸酯 苯并噻唑正离子,2-[3-(1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基)-1-丙烯-1-基]-3-乙基-,碘化(1:1) 苯并噻唑正离子,2-[2-[4-(二甲氨基)苯基]乙烯基]-3-乙基-6-甲基-,碘化 苯并噻唑正离子,2-[(2-乙氧基-2-羰基乙基)硫代]-3-甲基-,溴化 苯并噻唑啉 苯并噻唑三氯金(III) 苯并噻唑-d4 苯并噻唑-7-乙酸 苯并噻唑-6-腈 苯并噻唑-5-羧酸 苯并噻唑-5-硼酸频哪醇酯 苯并噻唑-4-醛 苯并噻唑-4-乙酸 苯并噻唑-2-磺酸钠 苯并噻唑-2-磺酸 苯并噻唑-2-磺酰氟 苯并噻唑-2-甲醛 苯并噻唑-2-甲酸 苯并噻唑-2-甲基甲胺 苯并噻唑-2-基磺酰氯 苯并噻唑-2-基甲基-乙基-胺 苯并噻唑-2-基叠氮化物 苯并噻唑-2-基-邻甲苯-胺 苯并噻唑-2-基-己基-胺 苯并噻唑-2-基-(4-氯-苯基)-胺 苯并噻唑-2-基-(4-氟-苯基)-胺 苯并噻唑-2-基-(4-乙氧基-苯基)-胺 苯并噻唑-2-基-(2-甲氧基-苯基)-胺 苯并噻唑-2-基-(2,6-二甲基-苯基)-胺