4-[(4-Bromobenzene)sulfonyl]morpholine

HCID 253128

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Basic information

CAS: 834-67-3
Standard SMILES: O=S(=O)(c1ccc(Br)cc1)N1CCOCC1
InChIKey: JWJRLABLXQZFAR-UHFFFAOYSA-N
Molecular formula: C10H12BrNO3S
Average molar mass: 306.18 g/mol
Monoisotopic mass: 304.97212634

Names & identifiers

Preferred name: 4-[(4-Bromobenzene)sulfonyl]morpholine
IUPAC: 4-(4-bromophenyl)sulfonylmorpholine
English name: 4-(4-Bromobenzenesulfonyl)morpholine
Molecular formula: C10H12BrNO3S
Molecular weight: 306.18

Names & synonyms

4-[(4-Bromobenzene)sulfonyl]morpholine4-((4-Bromobenzene)sulfonyl)morpholineRefChem:509344805-435-7834-67-34-(4-bromophenylsulfonyl)morpholine4-(4-bromobenzenesulfonyl)morpholine4-((4-Bromophenyl)sulfonyl)morpholine4-(4-bromophenyl)sulfonylmorpholineMFCD001947394-[(4-bromophenyl)sulfonyl]morpholineNSC75610

Show more names

4-((4-Bromophenyl)4-(4-bromoophenyl sulfonyl)morpholine4-bromo-N-morpholinylbenzenesulfonamide4-[(4-Bromophenyl)sulphonyl]morpholine98%4-[(4-Bromophenyl)sulphonyl]morpholine 98%4-(4-BROMOBENZENESULFONYL)MORPHOLINE USP/EP/BP

MORPHOLINE, 4-[(4-BROMOPHENYL)SULFONYL]-4-[(4-Bromophenyl)sulphonyl]morpholine4-Bromobenzenesulfonyl morpholine4-(4-Bromo-benzenesulfonyl)-morpholineNCIOpen2_008551SCHEMBL289534CHEMBL4552851NIOSH/QD8560500

Database identifiers

CAS: 834-67-3
PubChem CID: 253128
DTXSID: DTXSID70291448
ChEMBL: CHEMBL4552851
EC Number: 805-435-7
Nikkaji: J2.739.163J

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 55 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 313

Physicochemical properties

Melting point: 140 · 140-142
Boiling point: 415.7 · 415.7±55.0 °C(Predicted)
Density: 1.594 · 1.594±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -7.81 · -7.81±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.