Basic information
- CAS
349405-06-7- Standard SMILES
COC(=O)CNS(=O)(=O)c1ccc(Br)cc1- InChIKey
RKMMKFPYCKUIAN-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO4S
- Average molar mass
- 308.15 g/mol
- Monoisotopic mass
- 306.95139
Names & identifiers
- Preferred name
- Methyl 2-(4-bromobenzenesulfonamido)acetate
- IUPAC
- methyl 2-[(4-bromophenyl)sulfonylamino]acetate
- English name
- methyl 2-[(4-bromophenyl)sulfonylamino]acetate
- Molecular formula
- C9H10BrNO4S
- Molecular weight
- 308.15
Names & synonyms
349405-06-7methyl 2-(4-bromobenzenesulfonamido)acetateRefChem:813479820-962-2methyl 2-[(4-bromobenzene)sulfonamido]acetatemethyl 2-[(4-bromophenyl)sulfonylamino]acetateSCHEMBL24762008ZNA40506MFCD01215124STK015000AKOS000675650methyl (4-bromobenzenesulfonamido)acetate
Show more names
Glycine, N-[(4-bromophenyl)sulfonyl]-, methyl ester
ST042921SY189978Methyl 2-(4-Bromophenylsulfonamido)acetateCS-0217145methyl N-[(4-bromophenyl)sulfonyl]glycinatemethyl2-[(4-bromobenzene)sulfonamido]acetateEN300-69204methyl N-(4-bromobenzene-1-sulfonyl)glycinate
Database identifiers
- CAS
349405-06-7- PubChem CID
- 669307
- EC Number
- 820-962-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 402.8 · 402.8±55.0 °C(Predicted)
- Density
- 1.599 · 1.599±0.06 g/cm3(Predicted)
- pka
- 8.51 · 8.51±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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