Butanoic acid, 2,3-dibromo-, ethyl ester

HCID 98157

Notes Reactions

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Basic information

CAS: 609-11-0
Standard SMILES: CCOC(=O)C(Br)C(C)Br
InChIKey: YPZLAXFGOUPECS-UHFFFAOYSA-N
Molecular formula: C6H10Br2O2
Average molar mass: 273.95 g/mol
Monoisotopic mass: 271.90475

Names & identifiers

Preferred name: Butanoic acid, 2,3-dibromo-, ethyl ester
IUPAC: ethyl 2,3-dibromobutanoate
English name: Ethyl 2,3-dibromobutyrate
Molecular formula: C6H10Br2O2
Molecular weight: 273.95

Names & synonyms

Ethyl 2,3-dibromobutyrateButanoic acid, 2,3-dibromo-, ethyl esterEINECS 210-177-8NSC 83552Ethyl-2,3-dibromo butyrateDTXSID60870680Ethyl .alpha.,.beta.-dibromobutyrateEthyl alpha,beta-dibromobutyrateRefChem:122079DTXCID60818380210-177-8YPZLAXFGOUPECS-UHFFFAOYSA-N

Show more names

Ethyl2,3-Dibromobutyrate>ETHYL 2,3-DIBROMO-N-BUTYRATEEthyl 2,3-dibromobutyrate, 98+%2,3-dibromo-butanoicaciethylester

609-11-0Ethyl 2,3-dibromobutanoateMFCD00017863Butyric acid, 2,3-dibromo-, ethyl ester2,3-dibromo-n-butyric acid ethyl ester2,3-Dibromobutyric Acid Ethyl Esterethyl a,b-dibromobutyrateSCHEMBL9834260

Database identifiers

CAS: 609-11-0
PubChem CID: 98157
DTXSID: DTXSID60870680
EC Number: 210-177-8
Nikkaji: J130.905F

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 58.5 °C · 58.5°C
Boiling point: 104 °C · 104 °C / 17mmHg
Density: 1 · 1,69 g/cm3
refractive index: 1.494 · 1.4940-1.4970
storage temp.: 2 · Storage temp. 2-8°C
form: clear liquid
color: Colorless to Light yellow
CAS DataBase Reference: 609 · 609-11-0(CAS DataBase Reference)
EPA Substance Registry System: 2 · Ethyl 2,3-dibromobutyrate (609-11-0)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 227 · H227-H314
Precautionary statements: 210 · P210-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 1760 · 1760
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29420000 · 29420000

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 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 CategoriesAcute Tox. 4 (97.6%)；Skin Corr. 1B (100%)

Safety data

tsca: TSCA listed
ridadr: 1760
hs_code: 29420000
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS05
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III
Hazard statements: H227-H314
Precautionary statements: P210-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501