CAS 18791-02-1 2,3-Dibromopropanoyl chloride (HCID 86790)

Names & identifiers

Preferred name: 2,3-Dibromopropanoyl chloride
IUPAC: 2,3-dibromopropanoyl chloride
English name: 2,3-Dibromopropionyl chloride
Molecular formula: C3H3Br2ClO
Molecular weight: 250.32

Names & synonyms

2,3-Dibromopropionyl chloride2,3-Dibromopropanoyl chlorideDTXSID10940266RefChem:441989DTXCID901368737242-575-218791-02-1Propanoyl chloride, 2,3-dibromo-2,3-DibromopropionylchlorideMFCD00000712C3H3Br2ClOalpha,beta-Dibromopropionyl chloride

Show more names

2.3-Dibromoproionyl chloride2,3-dibromo-propionylchlorid2,3-dibromopropanoylchloride2,3-dibromo-propanoyl chlorid2,3-DibromopropionylChloride>Propionyl chloride, 2,3-dibromo-

EINECS 242-575-2BRN 1749801Propionyl chloride, 2,3-dibromo-3-02-00-00572 (Beilstein Handbook Reference)SCHEMBL16514162,3-Dibromopropionyl chloride, 97%AKOS015900958AS-12147

Database identifiers

CAS: 18791-02-1
PubChem CID: 86790
DTXSID: DTXSID10940266
EC Number: 242-575-2
Nikkaji: J222.304J

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 75.3

Physicochemical properties

Boiling point: 191 · 191-193 °C (lit.)
alpha: 22 · 22 º (c=8,6N HCl)
Density: 2.181 g/mL · 2.181 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.542(lit.)
Flash point: 152 °F · 152 °F
storage temp.: RT, stored under nitrogen
form: Liquid
color: Clear colorless to yellow
Sensitive: Moisture Sensitive
BRN: 1749801 · 1749801
InChI: InChI=1S/C3H3Br2ClO/c4-1-2(5)3(6)7/h2H,1H2
InChIKey: HWKWYDXHMQQDQJ-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C(Br)CBr
CAS DataBase Reference: 18791 · 18791-02-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314-H335
Precautionary statements: 261 · P261-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 23 · 23-26-27-28-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
RTECS: 6657500 · UG6657500
F: 19 · 19-21
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29159000 · 29159000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

Safety data

F: 19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: UG6657500
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 23-26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H302-H314-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications

Uses2,3-Dibromopropionyl chloride was used in synthesis of:series of 2,3-diaminopropionanilidesenantiomers of 1,4-dideoxy-1,4-iminolyxitol and 1,4-dideoxy-1,4-iminoribitolacromelic acid A