1-methyl-1H-indole-5-sulfonyl chloride

HCID 18525751CAS 859850-75-2

Substructure search Find similar structures

Basic information

Standard SMILES: Cn1ccc2cc(S(=O)(=O)Cl)ccc21
InChIKey: UGZYASSOUPYFAI-UHFFFAOYSA-N
Molecular formula: C9H8ClNO2S
Average molar mass: 229.68 g/mol
Monoisotopic mass: 228.99642718

Names & identifiers

Preferred name: 1-methyl-1H-indole-5-sulfonyl chloride
IUPAC: 1-methylindole-5-sulfonyl chloride
English name: 1-Methyl-1H-indole-5-sulfonyl chloride
Molecular formula: C9H8ClNO2S
Molecular weight: 229.68

Names & synonyms

1-Methyl-1H-indole-5-sulfonyl chloride859850-75-2DTXSID20594512RefChem:231512DTXCID10545275865-958-11-methylindole-5-sulfonyl chlorideMFCD082719071-Methyl-1H-indole-5-sulphonyl chloride1H-Indole-5-sulfonylchloride, 1-methyl-chloro(1-methylindol-5-yl)sulfoneSCHEMBL516947

Show more names

5-(Chlorosulphonyl)-1-methyl-1H-indole1H-Indole-5-sulfonyl chloride, 1-methyl-1-Methyl-1H-indole-5-sulphonylchloride95%1-Methyl-1H-indole-5-sulphonyl chloride 90%1-Methyl-1H-indole-5-sulphonyl chloride 90+%

UGZYASSOUPYFAI-UHFFFAOYSA-NJJB85075SBB055043AKOS006222069AS-62381-Methyl-1H-Indole-5-SulfonylChlorideSY365264CS-0232503

Database identifiers

CAS: 859850-75-2
PubChem CID: 18525751
DTXSID: DTXSID20594512
EC Number: 865-958-1

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 47.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 311

Physicochemical properties

Melting point: 79 °C · 79 °C
form: solid
color: Beige
InChI: 1S/C9H8ClNO2S/c1-11-5-4-7-6-8(14(10,12)13)2-3-9(7)11/h2-6H,1H3
InChIKey: UGZYASSOUPYFAI-UHFFFAOYSA-N
SMILES: Cn1ccc2cc(ccc12)S(Cl)(=O)=O
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H314-EUH029
Precautionary statements: 310 · P310-P260-P280
Hazard Codes: C,Xi
Risk Statements: 14 · 14-22-29-34-36
Safety Statements: 8 · 8-22-26-30-36/37/39-45
RIDADR: 3261 · 3261
WGK Germany: 3 · WGK 3
Hazard Note: Corrosive
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.