Bromodifluoroacetyl chloride

HCID 520892

Basic information

CAS
3832-48-2
Standard SMILES
O=C(Cl)C(F)(F)Br
InChIKey
LYJKGSALBRSKNL-UHFFFAOYSA-N
Molecular formula
C2BrClF2O
Average molar mass
193.37 g/mol
Monoisotopic mass
191.87891

Names & identifiers

Preferred name
Bromodifluoroacetyl chloride
IUPAC
2-bromo-2,2-difluoroacetyl chloride
English name
Bromodifluoroacetyl chloride
Molecular formula
C2BrClF2O
Molecular weight
193.37

Names & synonyms

Bromodifluoroacetyl chloride3832-48-22-bromo-2,2-difluoroacetyl chlorideDTXSID90334487RefChem:570341DTXCID002855772-Bromo-2,2-difluoro-ethanoyl chloride671-811-0bromo(difluoro)acetyl chlorideMFCD00069081Bromodifluoroacetylchloride2-bromanyl-2,2-bis(fluoranyl)ethanoyl chloride
Show more names
Bromodifluoroacetylchloride97%acetyl chloride, bromodifluoro-Bromodifluoroacetyl chloride 97%2-Bromo-2,2-difluoroethanoyl chlorideAcetyl chloride, 2-bromo-2,2-difluoro-Bromodifluoroacetyl Chloride extrapure, 97%
A824108bromodifluoroacetic chlorideBromodi(fluoro)acetyl chlorideSCHEMBL11613142-bromo-2,2-difluoro-acetyl chlorideAKOS005173358FS-4964DB-022977

Database identifiers

CAS
3832-48-2
PubChem CID
520892
DTXSID
DTXSID90334487
EC Number
671-811-0
Nikkaji
J2.470.696F

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
7

Physicochemical properties

Boiling point
50 °C · 50 °C
Density
2.053 · 2.053±0.06 g/cm3(Predicted)
refractive index
1.3853 · 1.3853
form
liquid
color
Clear, colourless
InChI
InChI=1S/C2BrClF2O/c3-2(5,6)1(4)7

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (90.9%): Flammable liquid and vapor [Warning Flammable liquids];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (90.9%);Skin Corr. 1B (100%)

Toxicology

Treatment · 1 item

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health Effects · 1 item

Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627)

Exposure RoutesOral (L626) ; inhalation (L626) ; dermal (L626)
Toxicity Summary · 1 item

Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543)

Signs and Symptoms · 1 item

Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Safety data

ridadr
3265
hs_code
29161900
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS02,GHS05
hazard_code
C

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)

Uses & manufacturing

Uses · 1 item

It is used as a starting material for the synthesis of (biologically active) _,_-difluoro-_-lactams and the synthesis of trifluoromethylated C-nucleosides. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.

Applications

UsesBromodifluoroacetyl Chloride is used in preparation of Haloalkyl Acid Halide. Also, used in preparation of 3-Pyridinyl substituted Triazolopyrazines, Triazolopyridazines, and Triazolopyridines as ion channel modulators.

Upstream & downstream products

Downstream products

Suppliers26 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]

Related reactions

4 records

Compound notes

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