CAS 871269-13-5 4-((3-Bromophenyl)sulphonyl)morpholine (HCID 3696002)

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Basic information

CAS: 871269-13-5
Standard SMILES: O=S(=O)(c1cccc(Br)c1)N1CCOCC1
InChIKey: BMAMBBTZMVECJZ-UHFFFAOYSA-N
Molecular formula: C10H12BrNO3S
Average molar mass: 306.18 g/mol
Monoisotopic mass: 304.97212634

Names & identifiers

Preferred name: 4-((3-Bromophenyl)sulphonyl)morpholine
IUPAC: 4-(3-bromophenyl)sulfonylmorpholine
English name: 4-(3-Bromophenylsulfonyl)morpholine
Molecular formula: C10H12BrNO3S
Molecular weight: 306.18

Names & synonyms

4-[(3-Bromophenyl)sulphonyl]morpholine4-((3-Bromophenyl)sulphonyl)morpholineRefChem:509184802-164-6871269-13-54-(3-Bromophenylsulfonyl)morpholine4-((3-Bromophenyl)sulfonyl)morpholine4-(3-bromophenyl)sulfonylmorpholine4-(3-bromobenzenesulfonyl)morpholineMFCD073638284-[(3-bromophenyl)sulfonyl]morpholineSCHEMBL100316

Show more names

4-[(3-Bromobenzene)sulfonyl]morpholineMorpholine, 4-[(3-bromophenyl)sulfonyl]-4-[(3-Bromophenyl)sulphonyl]morpholine95%4-[(3-Bromophenyl)sulphonyl]morpholine 95%4-(3-BROMOPHENYLSULFONYL)MORPHOLINE USP/EP/BP

CHEMBL5493801DTXSID20395167BMAMBBTZMVECJZ-UHFFFAOYSA-NAKOS008939950AB308544-(3-Bromo-benzenesulfonyl)-morpholine4-(3-Bromobenzene-1-sulfonyl)morpholineNCGC00181885-01

Database identifiers

CAS: 871269-13-5
PubChem CID: 3696002
DTXSID

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: 321

Physicochemical properties

Melting point: 132 · 132-136
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P