Basic information
- CAS
774530-27-7- Standard SMILES
COC(=O)c1ccc(B(O)O)c(N)c1- InChIKey
OLHRJDVIFHDPLZ-UHFFFAOYSA-N- Molecular formula
- C8H10BNO4
- Average molar mass
- 194.98 g/mol
- Monoisotopic mass
- 195.0702882
Names & identifiers
- Preferred name
- (2-Amino-4-(methoxycarbonyl)phenyl)boronic acid
- IUPAC
- (2-amino-4-methoxycarbonylphenyl)boronic acid
- English name
- Benzoic acid, 3-amino-4-borono-, 1-methyl ester (9CI)
- Molecular formula
- C8H10BNO4
- Molecular weight
- 194.98
Names & synonyms
774530-27-7(2-Amino-4-(methoxycarbonyl)phenyl)boronic acid[2-amino-4-(methoxycarbonyl)phenyl]boronic acidDTXSID40372253RefChem:205731DTXCID00323286(2-amino-4-methoxycarbonylphenyl)boronic acidBenzoic acid, 3-amino-4-borono-, 1-methyl ester (9CI)(2-amino-4-(methoxycarbonyl)phenyl)boronicacid2-amino-4-(methoxycarbonyl)phenylboronic acid(2-amino-4-methoxycarbonyl-phenyl)boronic AcidSCHEMBL629923
Show more names
172934Benzoic acid, 3-aMino-4-borono-, 1-Methyl ester
SCHEMBL29957691OLHRJDVIFHDPLZ-UHFFFAOYSA-NMFCD02179462AKOS016007565DA-028842-amino-4-methoxycarbonyl-phenylboronic acidCS-0455729E87540
Database identifiers
- CAS
774530-27-7- PubChem CID
- 2737801
- DTXSID
DTXSID40372253
Properties
Computed structural properties
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 427.6 · 427.6±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 8 · 8.00±0.53(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers19 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
硼诺科技（北京）有限公司010-15313962280 15313962280 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
上海平果医药科技有限公司021-20432229 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Related reactions
14 records
Compound notes
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