CAS 42413-03-6 2-Chloro-p-toluenesulfochloride (HCID 259744)

Names & identifiers

Preferred name: 2-Chloro-p-toluenesulfochloride
IUPAC: 3-chloro-4-methylbenzenesulfonyl chloride
English name: 3-Chloro-4-methylbenzenesulfonyl chloride
Molecular formula: C7H6Cl2O2S
Molecular weight: 225.09

Names & synonyms

2-chloro-p-toluenesulfochlorideEC 412-890-1NSC 90118RefChem:470355412-890-1627-430-742413-03-63-Chloro-4-methylbenzenesulfonyl chloride3-CHLORO-4-METHYLBENZENE-1-SULFONYL CHLORIDE3-chloro-4-methylbenzenesulphonyl chlorideMFCD00203987SCHEMBL242381

Show more names

BUTTPARK 95\57-323-Chloro-p-toluene sulfochloride3-Chloro-4-toluenesulfonyl chloride3-chloro-p-toluenesulfonyl chloride3-Chloro-p-toluenesulphonyl chloride2-Chlorotoluene-4-sulfonic acid chloride-Chloro-4-Methylbenzenesulfonyl Chloride

STR02681BP-10509F9995-25213-Chloro-4-methylphenylsulfonyl chlorideNSC90118AM62603FT-06154163-chloranyl-4-methyl-benzenesulfonyl chloride

Database identifiers

CAS: 42413-03-6
PubChem CID: 259744
DTXSID: DTXSID50962462
EC Number: 412-890-1、627-430-7
Nikkaji: J28.772E

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 245

Physicochemical properties

Melting point: 34 · 34-38 °C(lit.)
Boiling point: 125 °C · 125 °C
Density: 1.458 · 1.458
Flash point: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Appearance: 38 °C · Light yellow to brown 38°C Liquid
Sensitive: Moisture Sensitive
BRN: 2364094 · 2364094
InChI: 1S/C7H6Cl2O2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3
InChIKey: GNYVVCRRZRVBDD-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1Cl)S(Cl)(=O)=O
CAS DataBase Reference: 42413 · 42413-03-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1-2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H317-H412
Precautionary statements: 260 · P260-P272-P273-P280-P303+P361+P353-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34-43-52/53
Safety Statements: 23 · 23-26-36/37/39-45-61
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 2 · 2
Hazard Note: Corrosive/Irritant
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049090 · 29049090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 3 Eye · Aquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9425

Hazard Classes and Categories · 4 items

Acute Tox. 4 (20%)

Skin Corr. 1B (100%)

Skin corrosion - category 1B

Skin Corr. 1B

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 2
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34-43-52/53
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
hazard_note: Corrosive/Irritant
safety_code: 23-26-36/37/39-45-61
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314-H317-H412
REACH Registrations: Inactive
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1
Precautionary statements: P260-P272-P273-P280-P303+P361+P353-P305+P351+P338