기본 정보
- 표준 SMILES
CCSC(=O)Cl- InChIKey
QCMHWZUFWLOOGI-UHFFFAOYSA-N- 분자식
- C3H5ClOS
- 평균 분자량
- 124.59 g/mol
- 단동위원소 질량
- 123.97496346
개요
Ethyl chlorothioformate appears as an amber-colored liquid with a pungent penetrating odor. Very toxic by inhalation. Corrosive to metals and tissue. Denser than water. Vapors heavier than air.
이름 및 식별자
- 우선 이름
- Ethyl chlorothioformate
- IUPAC
- S-ethyl chloromethanethioate
- 현지명
- 에틸 클로로티오포르메이트
- 영어명
- Ethyl chlorothioformate
- 분자식
- C3H5ClOS
- 분자량
- 124.59
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2812-73-9、2941-64-2- PubChem CID
- 18056
- DTXSID
DTXSID6025278- ChEMBL
CHEMBL1379791- UNII
- 8B294Z76EO
- EC Number
- 220-928-1
- Nikkaji
- J56.121E
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 42.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 54.8
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
Vapor Pressure
111 mmHg at 77 °F (NTP, 1992)
111.0 [mmHg]
Physical Description
Ethyl chlorothioformate appears as an amber-colored liquid with a pungent penetrating odor. Very toxic by inhalation. Corrosive to metals and tissue. Denser than water. Vapors heavier than air.
An amber-colored liquid with a pungent penetrating odor; [CAMEO]
물리화학적 성질
- 녹는점
- -60 °C · -60 °C
- 끓는 점
- 132 °C · 132 °C(lit.)
- 밀도
- 1.195 g/mL · 1.195 g/mL at 25 °C(lit.)
- 증기압
- 0.2 psi · 0.2 psi ( 20 °C)
- 굴절률
- 20 · n20/D 1.482(lit.)
- 인화점
- 87 °F · 87 °F
- 저장 조건
- Flammables area
- 물리적 상태
- 액체
- 색상
- 투명한 노란색 또는 회색 녹색에서 보라색까지
- 수용성
- 물에서 분해되다
- EPA
- Ethyl chlorothioformate (2941-64-2)
화학적 성질
Ethyl chlorothioformate is a flammable clear yellow or amber-colored liquid. Pungent, penetrating odor.
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Carbonochloridothioic acid, S-ethyl ester
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
Status: Active Update: 10-04-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12266
Carbonochloridothioic acid, S-ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as sulfur oxides, hydrogen chloride, and carbon monoxide, may be formed when involved in fire.
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
Very toxic by inhalation; A skin, eye, and respiratory tract irritant; [CAMEO] Harmful if ingested or inhaled; Causes burns; Lachrymator; Danger of toxic pneumonitis after inhalation of high concentrations; Causes liver injury in animal experiments; [MSDSonline] See CHLOROFORMATES.
DOT Emergency Guidelines
If ... THERE IS NO FIRE, go directly to the Table of Initial Isolation and Protective Action Distances /(see table below)/ ... to obtain initial isolation and protective action distances. IF THERE IS A FIRE, or IF A FIRE IS INVOLVED, go directly to the appropriate guide /(see guide(s) below)/ and use the evacuation information shown under PUBLIC SAFETY.
/GUIDE 155: SUBSTANCES - TOXIC AND/OR CORROSIVE (FLAMMABLE/WATER-SENSITIVE)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.
/GUIDE 155: SUBSTANCES - TOXIC AND/OR CORROSIVE (FLAMMABLE/WATER-SENSITIVE)/ Health: TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns, or death. ... Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat which will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
/GUIDE 155: SUBSTANCES - TOXIC AND/OR CORROSIVE (FLAMMABLE/WATER-SENSITIVE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.
For more DOT Emergency Guidelines (Complete) data for S-ETHYL CHLOROTHIOLFORMATE (9 total), please visit the HSDB record page.
DOT Hazard Classification
Ethyl chlorothioformate
UN2826
Class 8 Corrosive material (49 eCFR § 173.136)
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Symbol +: Fixes the proper shipping name, hazard class and packing group for that entry
안전 및 보호
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Isolation and Evacuation
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Immediate precautionary measure
Small spill:
Small spill:
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- FG3855000
- ridadr
- UN 2826
- HS 번호
- 29309099
- risk_code
- 10-20/21/22-34-36/37-26-22
- hazard_code
- C,T+
- safety_code
- 16-26-27-36/37/39-45-28A-25
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- 97-3-102
- 유해 물질 데이터
- 2941-64-2(Hazardous Substances Data)
화학 및 산업
용도 및 제조
응용 분야
일반 설명An amber-colored liquid with a pungent penetrating odor. Flash point 125°F. Very toxic by inhalation. Corrosive to metals and tissue. Denser than water. Vapors heavier than air.
상·하류 제품 정보
상류 원료
하류 제품
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