CAS 27704-96-7 Methyl 2-bromo-3-methoxypropanoate (HCID 352460)

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Basic information

CAS: 27704-96-7
Standard SMILES: COCC(Br)C(=O)OC
InChIKey: NVBLRKGCQVZDMQ-UHFFFAOYSA-N
Molecular formula: C5H9BrO3
Average molar mass: 197.03 g/mol
Monoisotopic mass: 195.97350625

Names & identifiers

Preferred name: Methyl 2-bromo-3-methoxypropanoate
IUPAC: methyl 2-bromo-3-methoxypropanoate
English name: METHYL 2-BROMO-3-METHOXYPROPIONATE
Molecular formula: C5H9BrO3
Molecular weight: 197.03

Names & synonyms

methyl 2-bromo-3-methoxypropanoateDTXSID10326304RefChem:814187DTXCID60277418692-690-027704-96-7Methyl 2-bromo-3-methoxypropionateMFCD07784248Propanoic acid, 2-bromo-3-methoxy-, methyl estermethyl-2-bromo-3-methoxypropionatePropanoic acid,2-bromo-3-methoxy-, methyl esterNSC526514

Show more names

RMA-836Methyl2-bromo-3-methoxypropanoate97%Methyl 2-bromo-3-methoxypropionate 97%Methyl 2-bromo-3-methoxypropanoate 97%Methyl 2-bromo-3-methoxypropionate 95%min2-Bromo-3-methoxypropionic acid methyl ester

SCHEMBL2318914methyl2-bromo-3-methoxypropanoateNVBLRKGCQVZDMQ-UHFFFAOYSA-NCBA70496methyl 2-bromo-3-methoxy-propanoateSBB070762AKOS005257718Methyl alpha-bromo-betamethoxypropionate

Database identifiers

CAS: 27704-96-7
PubChem CID: 352460
DTXSID: DTXSID10326304
EC Number: 692-690-0
Nikkaji: J25.595E

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 94.2

Physicochemical properties

Boiling point: 69 °C · 69°C 11mm
Density: 1.465 · 1.465±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C5H9BrO3/c1-8-3-4(6)5(7)9-2/h4H,3H2,1-2H3
InChIKey: NVBLRKGCQVZDMQ-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(Br)COC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Hazard Codes: Xi,F
Risk Statements: 10 · 10
Safety Statements: 16 · 16
RIDADR: 3272 · 3272
Hazard Note: Irritant/Flammable

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 3272
hs_code: 2918999090
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,F
hazard_note: Irritant/Flammable
safety_code: 16
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501