기본 정보
- 표준 SMILES
O=C(Br)CBr- InChIKey
LSTRKXWIZZZYAS-UHFFFAOYSA-N- 분자식
- C2H2Br2O
- 평균 분자량
- 201.84 g/mol
- 단동위원소 질량
- 199.84723888
개요
Bromoacetyl bromide appears as a water-white liquid with a pungent odor. Denser than water. Irritates skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
이름 및 식별자
- 우선 이름
- Bromoacetyl bromide
- IUPAC
- 2-bromoacetyl bromide
- 현지명
- 모노브로모초산 브롬화물
- 영어명
- Bromoacetyl bromide
- 분자식
- C2H2Br2O
- 분자량
- 201.84
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
598-21-0- PubChem CID
- 61147
- DTXSID
DTXSID1060506- UNII
- GV64Q4VP87
- EC Number
- 209-923-5
- Nikkaji
- J474J
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 42.9
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Halogenated Ketones
Corrosives
Physical Description
Bromoacetyl bromide appears as a water-white liquid with a pungent odor. Denser than water. Irritates skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
Fuming water-white liquid with a pungent odor; [CAMEO] Colorless to light yellow liquid with an extremely irritating odor; [CHRIS] Dark brown liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 148.5 °C · 148.5°C (estimate)
- 끓는 점
- 147 · 147-150 °C(lit.)
- 밀도
- 2.324 g/mL · 2.324 g/mL at 20 °C
- 증기압
- 3.8 mm · 3.8 mm Hg ( 25 °C)
- 굴절률
- 20 · n20/D 1.547(lit.)
- 인화점
- 105 °C · >105°C
- 저장 조건
- Refrigerator (+4°C)
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 가루
- 색상
- 하얀색
- 수용성
- 물과 반응
- BRN
- 605440 · 605440
- Dielectric constant
- 12.6 · 12.6(20℃)
- 안정성
- 안정적이지만 물과 격렬하게 반응합니다. 물, 습기, 알코올, 강염기, 강산화제와 호환되지 않습니다.
- InChI
- 1S/C2H2Br2O/c3-1-2(4)5/h1H2
- InChIKey
- LSTRKXWIZZZYAS-UHFFFAOYSA-N
- SMILES
- BrCC(Br)=O
- LogP
- -0.04 at · -0.04 at 25℃
- NIST
- Bromoacetyl bromide(598-21-0)
- EPA
- 2 · Acetyl bromide, 2-bromo- (598-21-0)
화학적 성질
dark brown-yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
유해성 정보
Regulatory Information
Chemical: Acetyl bromide, bromo-
Status: Active Update: 10-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17142
Bromoacetyl bromide: 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: Heat of fire can cause decomposition, with evolution of highly toxic and irritating hydrogen bromide and bromophosgene vapors.
· Combustible material: may burn but does not ignite readily.
Health Hazards
Inhalation causes severe irritation of upper respiratory system. External contact causes severe irritation of eyes and skin. Ingestion causes severe irritation of mouth and stomach. (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
Reacts violently with water evolving hydrogen bromide; Causes severe skin irritation and serious eye injury; Brief contact can cause second- and third-degree skin burns; [CHRIS] Readily hydrolyzes; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS] See Dichloroacetone. See Hydrogen bromide.
Reactivity Profile
BROMOACETYL BROMIDE is incompatible with water, with bases (including amines), with strong oxidizing agents, with alcohols. 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]. Decomposes when heated with evolution of highly toxic and irritating hydrogen bromide and bromophosgene vapors.
DOT Hazard Classification
Bromoacetyl bromide
UN2513
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Corrosives, Reactive agents - 2nd degree
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
INHALATION: Remove from exposure; support respiration, call physician.
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2513
- HS 번호
- 29159080
- risk_code
- 34-14
- hazard_code
- C
- safety_code
- 26-36/37/39-45-8-30-25
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-03617
- F 고인화성물질
- 10-19
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
응용 분야
용도Bromoacetyl bromide is widely used in the synthesis of fine chemicals, agrochemicals, dyes and pharmaceuticals. As an acylating agent, it reacts with 10H-phenothiazine to give 10-bromoacetyl-10H-phenothiazine. Similarly, it is also involved in the preparation of bromoactylated starch which is a biodegradable thermoplastic copolymer.
일반 설명A water-white liquid with a pungent odor. Denser than water. Irritates skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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