Basic information
- CAS
306937-20-2- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(Br)cc1C(=O)O- InChIKey
XRMSYCMCKRUWJD-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO4
- Average molar mass
- 316.15 g/mol
- Monoisotopic mass
- 315.01062003
Overview
See also: 2-Amino-5-bromobenzoic acid, N-BOC protected (annotation moved to).
Names & identifiers
- Preferred name
- N-Boc-5-Bromoanthranilic acid
- IUPAC
- 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
- English name
- Benzoic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI)
- Molecular formula
- C12H14BrNO4
- Molecular weight
- 316.15
Names & synonyms
306937-20-2N-Boc-5-Bromoanthranilic acid5-Bromo-2-((tert-butoxycarbonyl)amino)benzoic acidMFCD01619006Boc-2-amino-5-bromobenzoic acid5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic AcidBenzoic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI)5-bromo-2-[(tert-butoxycarbonyl)amino]benzoic acidBenzoic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-DTXSID203523362-(Boc-amino)-5-bromobenzoic Acid5-bromo-2-{[(tert-butoxy)carbonyl]amino}benzoic acid
Show more names
N-BOC-5-Bromo-Aminobenzoic AcidN-BOC-5-bromo-o-aminobenzoic acid2-(Boc-amino)-5-bromo-benzoic acid2-Amino-5-bromobenzoic acid, N-BOC protected2-Amino-5-bromobenzoic acid, N-BOC protected 95%5-Bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]benzoic acid
CS-00190455-bromo-2-(tert-butoxycarbonylamino)benzoic acidCambridge id 6881760SCHEMBL3490024CHEMBL4792568SCHEMBL30517815XRMSYCMCKRUWJD-UHFFFAOYSA-NBenzoic acid,5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 177 · 177-178 °C
- Boiling point
- 367.1 · 367.1±37.0 °C(Predicted)
- Density
- 1.526 · 1.526±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.31 · 3.31±0.36(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 306937 · 306937-20-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2921420090 · 2921420090
Safety & regulation
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers52 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
6 records
Compound notes
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