Basic information
- CAS
300383-13-5- Standard SMILES
O=C(O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1- InChIKey
RMFTWSQXRNWNMA-UHFFFAOYSA-N- Molecular formula
- C11H12BrNO5S
- Average molar mass
- 350.19 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-3-(morpholine-4-sulfonyl)benzoic acid
- IUPAC
- 4-bromo-3-morpholin-4-ylsulfonylbenzoic acid
- English name
- Benzoic acid, 4-bromo-3-(4-morpholinylsulfonyl)-
- Molecular formula
- C11H12BrNO5S
- Molecular weight
- 350.19
Names & synonyms
300383-13-54-bromo-3-(morpholine-4-sulfonyl)benzoic acidRefChem:519869859-245-44-Bromo-3-(morpholine-4-sulfonyl)-benzoic acidMFCD006257394-bromo-3-morpholin-4-ylsulfonylbenzoic acid4-bromo-3-(morpholinosulfonyl)benzoic acidSCHEMBL3949541RMFTWSQXRNWNMA-UHFFFAOYSA-NAMA38313AKOS000121801
Show more names
Benzoic acid, 4-bromo-3-(4-morpholinylsulfonyl)-
4-bromo-3-morpholinosulfonyl-benzoic acidSY1327144-Bromo-3-(morpholinosulfonyl)-benzoic acidCS-0218205ST502171024-bromo-3-(morpholine-4-sulfonyl)benzoicacidEN300-00356G23805
Database identifiers
- CAS
300383-13-5- PubChem CID
- 767903
- EC Number
- 859-245-4
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Boiling point
- 536.8 · 536.8±60.0 °C(Predicted)
- Density
- 1.712 · 1.712±0.06 g/cm3(Predicted)
- pka
- 3.58 · 3.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-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
- H319-H335-H315-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
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
2 records
Compound notes
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