기본 정보
- 표준 SMILES
O=C(Cl)/C=C/C(=O)Cl- InChIKey
ZLYYJUJDFKGVKB-OWOJBTEDSA-N- 분자식
- C4H2Cl2O2
- 평균 분자량
- 152.96 g/mol
- 단동위원소 질량
- 151.94318466
개요
Fumaryl chloride appears as a straw colored fuming liquid with a pungent odor. Vapors irritate the eyes and mucous membranes. Corrosive to metals and tissue.
이름 및 식별자
- 우선 이름
- Fumaryl chloride
- IUPAC
- (E)-but-2-enedioyl dichloride
- 현지명
- 푸말산클로라이드
- 영어명
- Fumaryl chloride
- 분자식
- C4H2Cl2O2
- 분자량
- 152.96
이름 및 동의어
FUMARYL CHLORIDE627-63-4Fumaroyl dichlorideFumaroyl chlorideFumarylchloridfumaryl dichlorideChlorure de fumaryle2-Butenedioyl dichloride, (E)-2-Butenedioyl dichloride, (2E)-Dichlorid kyseliny fumaroveTL 189Fumaric acid dichloride
이름 더 보기
푸말산클로라이드염화푸마릴퓨마릴 클로라이드trans-2-Butenedioyl dichloridetl189fumarylFumarylChoridefumaroylchloride
DTXSID3033519B95L4812RGFUMARIC DICHLORIDEFUMARIC ACID CHLORIDEDTXCID1013519RefChem:607705211-005-4(E)-but-2-enedioyl dichloride
데이터베이스 식별자
- CAS
627-63-4- PubChem CID
- 5325504
- DTXSID
DTXSID3033519- ChEMBL
CHEMBL2143883- UNII
- B95L4812RG
- EC Number
- 211-005-4
- Nikkaji
- J517G、J581.481B
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 34.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 123
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure2.07 [mmHg]
Physical Description
Fumaryl chloride appears as a straw colored fuming liquid with a pungent odor. Vapors irritate the eyes and mucous membranes. Corrosive to metals and tissue.
Fuming straw-colored liquid with a pungent odor; [CAMEO] Colorless liquid with an acrid odor; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -2 °C · -2 °C
- 끓는 점
- 161 · 161-164 °C(lit.)
- 밀도
- 1.415 g/mL · 1.415 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.499(lit.)
- 인화점
- 165 °F · 165 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- Specific Gravity
- 1.415 · 1.415 (20/4℃)
- 색상
- 맑은 노란색
- 수용성
- 물에서 분해되다
- BRN
- 1721342 · 1721342
- InChI
- 1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H/b2-1+
- InChIKey
- ZLYYJUJDFKGVKB-OWOJBTEDSA-N
- SMILES
- ClC(=O)\C=C\C(Cl)=O
- NIST
- Fumaryl chloride(627-63-4)
- EPA
- 2 · 2-Butenedioyl dichloride, (2E)- (627-63-4)
화학적 성질
Clear yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Fumaryl chloride: 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.)
DOT LabelCorrosive
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
A severe skin and eye irritant; Causes musculoskeletal changes in inhalation lethal-concentration studies of mice; [RTECS] Corrosive to tissue; Vapor causes eye and mucous membrane irritation; [CAMEO] Reacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS]
DOT ID and Guide1780 156
Reactive GroupHydrocarbons, Aliphatic Unsaturated
Reactivity AlertsAir-Reactive
Reactivity Profile
FUMARYL CHLORIDE is incompatible with strong oxidizing agents, alcohols, amines and other bases. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Fumaryl chloride
UN1780
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsFumes in moist air. The liquid very slowly reacts exothermically with water to form hydrogen chloride.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Corrosives, Flammable agents - 2nd degree, Reactive agents - 2nd degree
안전 및 보호
Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
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
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Emergency Response Planning Guidelines· Note: Most foams will react with the material and release corrosive/toxic gases.
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (rat) = 500 ppm/4hr
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LT2800000
- ridadr
- UN 1780
- HS 번호
- 29171990
- risk_code
- 20/21/22-34-37-29-36/37-14
- hazard_code
- C
- safety_code
- 26-36/37/39-45-8-27
- 포장분류
- II
- 위험 등급
- 8
- F 고인화성물질
- 21
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralSkin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing Information2-Butenedioyl dichloride, (2E)-: ACTIVE
응용 분야
용도Fumaryl chloride was used in the preparation of high molecular weight poly(propylene fumarate). The photodissociation dynamics of fumaryl chloride was studied. It is used in agrochemicals and pharmaceuticals manufacturing. Also used as an intermediate for dyes, textile auxiliaries and peroxide compounds. It is an acid halide building block.
일반 설명Fumaryl chloride appears as a straw colored fuming liquid with a pungent odor. Vapors irritate the eyes and mucous membranes. Corrosive to metals and tissue.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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