Bromoacetyl bromide

HCID 61147CAS 598-21-0

Basic information

Standard SMILES
O=C(Br)CBr
InChIKey
LSTRKXWIZZZYAS-UHFFFAOYSA-N
Molecular formula
C2H2Br2O
Average molar mass
201.84 g/mol
Monoisotopic mass
199.84723888

Overview

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.

Names & identifiers

Preferred name
Bromoacetyl bromide
IUPAC
2-bromoacetyl bromide
English name
Bromoacetyl bromide
Molecular formula
C2H2Br2O
Molecular weight
201.84

Names & synonyms

Bromoacetyl bromide598-21-0ACETYL BROMIDE, BROMO-Acetyl bromide, 2-bromo-CCRIS 9090EINECS 209-923-5UN2513alpha-bromoacetyl bromideDTXSID10605062bromoacetyl bromideAcetyl bromide, bromoalphaBromoacetyl bromide
Show more names
acetylbromide,bromo-bromoacetylBroMoacetyl brAKOS BBS-00004286bromo-acetylbromid?BROMOACETYL?BROMIBrominemonobromide1,2-Dibromoethanone
Acetyl bromide, 2bromoRefChem:570322BROMOETHANOYL BROMIDEMONOBROMOACETYL BROMIDEDTXCID7042699209-923-52-Bromoacetyl bromidebromoacetylbromide

Database identifiers

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

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
5

Experimental & physicochemical properties

Chemical Classes · 2 items

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 · 2 items

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]

Physicochemical properties

Melting point
148.5 °C · 148.5°C (estimate)
Boiling point
147 · 147-150 °C(lit.)
Density
2.324 g/mL · 2.324 g/mL at 20 °C
vapor pressure
3.8 mm · 3.8 mm Hg ( 25 °C)
refractive index
20 · n20/D 1.547(lit.)
Flash point
105 °C · >105°C

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Hazard information

Regulatory Information · 4 items

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 · 2 items

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 · 2 items

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 · 1 item

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.

DOT ID and Guide2513 156

Safety & protection

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

· 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 · 2 items

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 · 2 items

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

Immediate precautionary measure

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F
10-19
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 2513
hs_code
29159080

Chemistry & industry

Uses & manufacturing

UsesUsed in chemical manufacture; [CAMEO]
General Manufacturing InformationAcetyl bromide, 2-bromo-: ACTIVE
Applications · 2 items

UsesBromoacetyl 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.

General DescriptionA 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.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

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