Benzoic acid, 2-amino-3,5-dibromo-, methyl ester

HCID 69069CAS 606-00-8

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1cc(Br)cc(Br)c1N
InChIKey: NGXVMFCGYYHEGC-UHFFFAOYSA-N
Molecular formula: C8H7Br2NO2
Average molar mass: 308.957 g/mol
Monoisotopic mass: 306.88435266

Names & identifiers

Preferred name: Benzoic acid, 2-amino-3,5-dibromo-, methyl ester
IUPAC: Methyl 2-amino-3,5-dibromobenzoate
English name: Methyl 2-amino-3,5-dibromobenzoate
Molecular formula: C8H7Br2NO2
Molecular weight: 308.95

Names & synonyms

Ambroxol Imp.15Methyl 2-aMino-35-dibroMobenzoateRARECHEM AL BF 0466TIMTEC-BB SBB002959Ambroxol Impurity 2SALOR-INT L497037-1EABromhexine Impurity 34Methyl3,5-didromoanthranilateMETHYL 3,5-DIBROMOANTHRANULATE

Database identifiers

CAS: 606-00-8
PubChem CID: 69069
DTXSID: DTXSID7060546
UNII: LG8X53QQ5Z
EC Number: 400-990-8、611-997-2
Nikkaji: J96.134E

Properties

Physicochemical properties

Melting point: 89 · 89-91 °C(lit.)
Boiling point: 317.9 · 317.9±37.0 °C(Predicted)
Density: 1.907 · 1.907±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: -0.3 · -0.30±0.10(Predicted)
Appearance: White to off-white Solid
BRN: 3257505 · 3257505
InChI: InChI=1S/C8H7Br2NO2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,11H2,1H3
InChIKey: NGXVMFCGYYHEGC-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC(Br)=CC(Br)=C1N
CAS DataBase Reference: 606 · 606-00-8(CAS DataBase Reference)
FDA UNII: 8 X53QQ5Z · LG8X53QQ5Z
EPA Substance Registry System: 2 · Benzoic acid, 2-amino-3,5-dibromo-, methyl ester (606-00-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29224999 · 29224999
REACH Registrations: Inactive

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 29224999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
REACH Registrations: Inactive
Precautionary statements: P261-P305+P351+P338-P280a-P304+P340-P405-P501a

Chemistry & industry

Applications

UsesMethyl 2-amino-3,5-dibromobenzoate can be used in the synthesis of drug hexyl bromide.

Upstream & downstream products

Upstream raw materials

Downstream products

2-AMINO-3,5-DIBROMOBENZYL ALCOHOL

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

天津始加生物医药科技有限公司15022261580 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Linked notes

Loading…