苯基氯硫代甲酸酯 - CAS号 13464-19-2

物化性质

沸点：

104 °C(Press: 13 Torr)
密度：

1.33±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.3
重原子数：

10
可旋转键数：

2
环数：

1.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

42.4
氢给体数：

0
氢受体数：

2

安全信息

储存条件：

室温

SDS

SDS：9d61de3ee55df355a255a200802ffd0e

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Name:	Phenyl Chlorothioformate 98% (Titr.) Material Safety Data Sheet
Synonym:	Carbonochloridothioic Acid; S-Phenyl Ester
CAS:	13464-19-2

Section 1 - Chemical Product MSDS Name:Phenyl Chlorothioformate 98% (Titr.) Material Safety Data Sheet
Synonym:Carbonochloridothioic Acid; S-Phenyl Ester

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13464-19-2	Carbonochloridothioic Acid, S-Phenyl E	98	236-679-7

Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Corrosive.Stench.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse. Discard contaminated clothing in a manner which limits further exposure. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Antidote: None reported.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 13464-19-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear yellow
Odor: stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 107 deg C @ 10.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: None available.
Flash Point: None available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H5ClOS
Molecular Weight: 172.63

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13464-19-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Carbonochloridothioic Acid, S-Phenyl Ester - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE LIQUID, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 13464-19-2: No information available.
Canada
CAS# 13464-19-2 is listed on Canada's NDSL List.
CAS# 13464-19-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13464-19-2 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

下游产品

中文名称英文名称 CAS号化学式分子量

—— S-phenyl thiocarbamate 61642-86-2 C₇H₇NOS 153.205

—— Phenylthiofluorformat 2286-39-7 C₇H₅FOS 156.181

中文名称	英文名称	CAS号	化学式	分子量
——	S-phenyl thiocarbamate	61642-86-2	C₇H₇NOS	153.205
——	Phenylthiofluorformat	2286-39-7	C₇H₅FOS	156.181

反应信息

作为反应物：

描述：

苯基氯硫代甲酸酯在 sodium fluoride 作用下，以乙腈为溶剂，反应 20.0h，以92%的产率得到Phenylthiofluorformat

参考文献：

名称：

A useful route to alkenyl s-phenyl thiocarbonates: reagents for the introduction of the enyloxycarbonyl moiety in synthesis

摘要：

DOI：

10.1021/jo01300a066
作为产物：

描述：

二氟甲基膦酸二乙酯、 (R)-(+)-2,2-二甲基-1,3-二氧戊环-4-甲醛在 lithium diisopropyl amide 作用下，生成苯基氯硫代甲酸酯

参考文献：

名称：

Design, Synthesis, and Evaluation of Phospholipid Analogs as Inhibitors of the Bacterial Phospholipase C from Bacillus cereus

摘要：

Enzymes belonging to the phospholipase C (PLC) family hydrolyze the phosphodiester bond of phospholipids to give a diacylglycerol and a phosphorylated head group. The bacterial phospholipase C from Bacillus cereus (PLC(Bc)) has been studied extensively, and there is a wealth of information regarding those structural features that are important for substrate activity. In contrast, there is virtually no data available regarding structure-activity relationships for inhibitors of this enzyme. To address this shortcoming, a series of optically pure analogues of 1,2-dihexanoyl-sn-glycero-3-phosphocholine (2) containing different replacements of the phosphate group were first synthesized including the phosphoramidates 4 and 8, the phosphonate 5, the (difluoromethylene)phosphonate 6, the thiophosphate 7, the diastereomeric phosphorothioates 9 and 10, and the phosphorodithioate 11. Each of these phosphatidylcholine derivatives was tested for inhibitor or substrate activity with PLC(Bc) using the water-soluble phosphatidylcholine 2 as the monomeric substrate. The measurements were conducted below the critical micellar concentrations of both 2 and the inhibitor. Of the analogues, only 7 and 9 underwent observable enzymatic hydrolysis under the assay conditions used. The k(cat) of the (Sp)-phosphorothioate 9 was approximately one-fifth that of 2, and when compared to 2, 7 was hydrolyzed only very slowly by the enzyme. Kinetic studies indicated that the phospholipid analogues tested were competitive inhibitors with increasing K-i's follows: 7 approximate to 11 approximate to 10 < 4 approximate to 8 < 5 approximate to 6.

DOI：

10.1021/jo00096a024
作为试剂：

描述：

methyl 3,4-O-cyclohexylidenequinate 在吡啶、咪唑、 4-二甲氨基吡啶、 sodium tetrahydroborate 、四氧化锇、 diisobutylaluminum hydride 、偶氮二异丁腈、十二/十四烷基二甲基氧化胺、苯基氯硫代甲酸酯、 3 A molecular sieve 、 camphor-10-sulfonic acid 、三正丁基氢锡、对甲苯磺酸、 pyridinium chlorochromate 作用下，以四氢呋喃、甲醇、二氯甲烷、水、叔丁醇为溶剂，生成 (1R,2R,3S,4S)-4-tert-Butyldimethylsiloxymethyl-1,2:3,4-di-O-isopropylidene-cyclohexan-1,2,3,4-tetraol

参考文献：

名称：

A new approach to pseudo-sugars from (–)-quinic acid: facile syntheses of pseudo-β-D-mannopyranose and pseudo-β-D-fructopyranose

摘要：

(â)-奎宁酸已分别经过七步和十二步转化为伪-β-D-甘露糖吡喃糖(1)和伪-β-D-果糖吡喃糖(2)。

DOI：

10.1039/c39900000748

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文献信息

[EN] THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE<br/>[FR] DÉRIVÉS DE THIOPHÈNE POUR LE TRAITEMENT DE TROUBLES PROVOQUÉS PAR IGE

申请人：UCB BIOPHARMA SRL

公开号：WO2019243550A1

公开（公告）日：2019-12-26

Thiophene derivatives of formula (I) and a pharmaceutically acceptable salt thereof are provided. These compounds have utility for the treatment or prevention of disorders caused by IgE, such as allergy, type 1 hypersensitivity or familiar sinus inflammation.

提供了公式（I）的噻吩衍生物及其药用可接受的盐。这些化合物对于治疗或预防由IgE引起的疾病具有用途，如过敏、1型超敏反应或家族性鼻窦炎。
NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF

申请人：FUJIFILM Corporation

公开号：US20150322063A1

公开（公告）日：2015-11-12

A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
Novel pyridine derivative and pyrimidine derivative

申请人：Matsushima Tomohiro

公开号：US20050277652A1

公开（公告）日：2005-12-15

A compound represented by the following formula, a salt thereof or a hydrate of the foregoing has an excellent hepatocyte growth factor receptor (HGFR) inhibitory activity, and exhibits anti-tumor activity, angiogenesis inhibitory activity and cancer metastasis inhibitory activity. [R 1 represents C 1-6 alkyl or the like; R 2 and R 3 represent hydrogen; R 4 , R 5 , R 6 , and R 7 may be the same or different and each represents hydrogen, halogen, C 1-6 alkyl or the like; R 8 represents hydrogen or the like; R 9 represents C 1-6 alkyl or the like; V 1 represents oxygen or the like; V 2 represents oxygen or sulfur; W represents —NH— or the like; X represents —CH═, nitrogen or the like; and Y represents oxygen or the like.]

以下化合物的分子式，其盐或前述水合物具有出色的肝细胞生长因子受体（HGFR）抑制活性，并表现出抗肿瘤活性、抑制血管生成活性和抑制癌转移活性。 [R 1 代表C 1-6 烷基或类似物；R 2 和R 3 代表氢；R 4 ，R 5 ，R 6 和R 7 可以相同也可以不同，每个代表氢、卤素、C 1-6 烷基或类似物；R 8 代表氢或类似物；R 9 代表C 1-6 烷基或类似物；V 1 代表氧或类似物；V 2 代表氧或硫；W代表—NH—或类似物；X代表—CH═、氮或类似物；Y代表氧或类似物。]
[EN] TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES<br/>[FR] COMPOSÉS DE TÉTRAZOLINONE ET LEUR UTILISATION EN TANT QUE PESTICIDES

申请人：SUMITOMO CHEMICAL CO

公开号：WO2013162072A1

公开（公告）日：2013-10-31

The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

本发明提供了一种具有优异杀虫效果的化合物。公式（1）的四唑酮化合物：[其中R1代表C6-C16芳基、C1-C12烷基或C3-C12环烷基等，每个都可以选择性地被取代；R2、R3、R4和R5分别独立地代表氢原子、卤素原子或C1-C3烷基等；R6代表C1-C6烷基、C3-C6环烷基、卤素原子、C1-C6卤代烷基、C2-C6烯基、C1-C6烷氧基或C1-C6卤代烷氧基等；R7、R8和R9分别独立地代表氢原子、卤素原子或C1-C4烷基等；X代表氧原子或硫原子；R10代表C1-C6烷基等]在杀虫方面表现出优异的控制效果。
Thiazanthenyl semicarbazides

申请人：The Boots Company

公开号：US03948947A1

公开（公告）日：1976-04-06

4-(9-Xanthenyl)semicarbazide and thiosemicarbazide, 4-(9-thiazanthenyl)semicarbazide and thiosemicarbazide, and derivatives of these compounds, useful as antisecretory agents.

4-(9-芴基)半胱氨酰胺和硫脲，4-(9-噻芴基)半胱氨酰胺和硫脲，以及这些化合物的衍生物，可用作抗分泌剂。

苯基氯硫代甲酸酯 | 13464-19-2

分子结构分类

物化性质

计算性质

安全信息

SDS

上下游信息

反应信息

文献信息

同类化合物

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