Basic information
- CAS
446305-66-4- Standard SMILES
CC(C)(C)OC(=O)NC(C(=O)O)c1cccc(Br)c1- InChIKey
ZHAAYALRXSZQLX-UHFFFAOYSA-N- Molecular formula
- C13H16BrNO4
- Average molar mass
- 330.17 g/mol
- Monoisotopic mass
- 329.02627
Names & identifiers
- Preferred name
- 2-(3-Bromophenyl)-2-((tert-butoxycarbonyl)amino)acetic acid
- IUPAC
- 2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
- English name
- Boc-aMino-(3-broMophenyl)acetic acid
- Molecular formula
- C13H16BrNO4
- Molecular weight
- 330.17
Names & synonyms
446305-66-42-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)acetic acidRefChem:455259825-212-8(3-bromophenyl)[(tert-butoxycarbonyl)amino]acetic acidBoc-2-amino-2-(3-bromophenyl)acetic acid2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid(3-Bromo-phenyl)-tert-butoxycarbonylamino-acetic acidSCHEMBL2919373ZHAAYALRXSZQLX-UHFFFAOYSA-NWSA30566Boc-aMino-(3-broMophenyl)acetic acid
Show more names
Benzeneacetic acid, 3-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-
AKOS013464685AB32794AB32798AS-89414DB-163044CS-0215361EN300-238084W18692
Database identifiers
- CAS
446305-66-4- PubChem CID
- 20823784
- EC Number
- 825-212-8
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- storage temp.
- 0 · Store at 0-8 °C
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
4 records
Compound notes
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