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모노브로모초산 브롬화물

Bromoacetyl bromide

HCID 61147
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
598-21-0
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

Bromoacetyl bromide598-21-0ACETYL BROMIDE, BROMO-Acetyl bromide, 2-bromo-CCRIS 9090EINECS 209-923-5UN2513alpha-bromoacetyl bromideDTXSID10605062bromoacetyl bromideAcetyl bromide, bromoalphaBromoacetyl bromide
이름 더 보기
모노브로모초산브롬화물브로민화브로민아세틸브로민화브로민아세틸(브롬화브롬아세틸)브로민화브로민아세틸브로모아세틸브로마이드acetylbromide,bromo-bromoacetylBroMoacetyl brAKOS BBS-00004286bromo-acetylbromid?BROMOACETYL?BROMIBrominemonobromide1,2-Dibromoethanone
Acetyl bromide, 2bromoRefChem:570322BROMOETHANOYL BROMIDEMONOBROMOACETYL BROMIDEDTXCID7042699209-923-52-Bromoacetyl bromidebromoacetylbromide

데이터베이스 식별자

CAS
598-21-0
PubChem CID
61147
DTXSID
DTXSID1060506
UNII
GV64Q4VP87
EC Number
209-923-5
Nikkaji
J474J

물성

구조 계산 물성보충 중

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 · 2건

Other Classes -> Halogenated Ketones

Corrosives

SpringerMaterials PropertiesSchoenflies notation
Density2.317 at 68 °F (USCG, 1999) - Denser than water; will sink
Boiling Point298 °F at 760 mmHg (USCG, 1999)
Physical Description · 2건

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.)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

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 · 4건

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.)

DOT LabelCorrosive
Fire Hazards · 2건

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 · 2건

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 · 1건

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.

화학 및 산업

용도 및 제조

UsesUsed in chemical manufacture; [CAMEO]
General Manufacturing InformationAcetyl bromide, 2-bromo-: ACTIVE
응용 분야 · 2건

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

인

하류 제품

Diethyl (N-methoxy-N-methylcarbamoylmethyl)phosphonate클로나제팜2-Hydrazinyl-1-morpholinoethanone7-(알파-브로모아세트아미도)두스포란산2-(4-Pentylbenzoyl)-1-benzofuran-5-carbaldehyde6-Bromo-2H-1,4-benzoxazin-3(4H)-one

관련 반응

1,289건
반응 기록 만들기
HRID 953 반응식
HRID 953반응물로uspto-grants-1998_03
HRID 957 반응식
HRID 957반응물로uspto-grants-1998_03
HRID 959 반응식
HRID 959반응물로uspto-grants-1998_03
HRID 962 반응식
HRID 962반응물로uspto-grants-1998_03
HRID 963 반응식
HRID 963반응물로uspto-grants-1998_03
HRID 964 반응식
HRID 964반응물로uspto-grants-1998_03
HRID 965 반응식
HRID 965반응물로uspto-grants-1998_03
HRID 2962 반응식
HRID 2962반응물로uspto-grants-1998_03
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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
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

DOT ID and Guide2513 156
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsWater-Reactive
Reactivity Profile · 1건

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 · 4건

Bromoacetyl bromide

UN2513

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 air. Reacts violently with water to form hydrobromic acid (HBr) (USCG 1991).
Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

Corrosives, Reactive agents - 2nd degree

안전 및 보호

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Accidental Release Measures · 2건

· 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 · 2건

INHALATION: Remove from exposure; support respiration, call physician.

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 · 2건

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Acid-type canister mask; self-contained breathing apparatus (full face); rubber gloves and full protective clothing. (USCG, 1999)
Emergency Response Planning Guidelines· Note: Most foams will react with the material and release corrosive/toxic gases.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

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
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2-브로모-N,N-디부틸아세트아미드
2-Bromo-2',4'-difluoroacetophenone
N,N'-에틸리덴비스(2-브로모아세트아미드)
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2-브로모-N-(3-클로로-페닐)-아세트아미드
3-(브로아세틸)아미노페놀