CAS 3518-65-8 (Chloromethyl)sulfonyl chloride (HCID 77054)

Names & identifiers

Preferred name: (Chloromethyl)sulfonyl chloride
IUPAC: chloromethanesulfonyl chloride
English name: Chloromethanesulfonyl chloride
Molecular formula: CH2Cl2O2S
Molecular weight: 149

Names & synonyms

Chloromethanesulfonyl chloride3518-65-8Methanesulfonyl chloride, chloro-Chloromethanesulphonyl chlorideChlormethansulfochloridChlormethansulfonylchlorid(Chloromethyl)sulfonyl chlorideChlorid kyseliny chlormethansulfonoveChlormethansulfochlorid [Czech]Chlormethansulfonylchlorid [Czech]7WRW5VDZ79EINECS 222-526-1

Show more names

CHLOROMESYL CHLORIDECMSCRARECHEM AW HA 0004CHLORMETHYLSULFONYL CHLORIDEchloro-methanesulfonylchloridChloromethylsulphonylchloride

BRN 1811761Chlorid kyseliny chlormethansulfonove [Czech]DTXSID30188668RefChem:406015DTXCID90111159Chloromethylsulfonyl Chloridechloromethylsulphonyl chlorideMFCD00014727

Database identifiers

CAS: 3518-65-8
PubChem CID: 77054
DTXSID: DTXSID30188668
UNII: 7WRW5VDZ79
EC Number: 222-526-1
Nikkaji: J41.683E

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 108

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point: 80 · 80-81°C
Density: 1.64 g/mL · 1.64 g/mL at 20 °C(lit.)
refractive index: 1.488 · 1.488
Flash point: 110 °C · 110.00°C
storage temp.: -20 °C · -20°C
solubility: Chloroform, Methanol
form: Liquid
Specific Gravity: 1.67 · 1.67
color: White
Water Solubility: It is soluble in dichloromethane, pyridine, and most organic solvents. It is insoluble in water.
Sensitive: Moisture Sensitive
BRN: 1811761 · 1811761
InChI: 1S/CH2Cl2O2S/c2-1-6(3,4)5/h1H2
InChIKey: KQDDQXNVESLJNO-UHFFFAOYSA-N
SMILES: ClCS(Cl)(=O)=O
CAS DataBase Reference: 3518 · 3518-65-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 7 WRW5VDZ79 · 7WRW5VDZ79
NIST Chemistry Reference: Chloromethanesulfonyl chloride(3518-65-8)
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 270 · P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 22 · 22-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
RTECS: 2800000 · PB2800000
F: 10 · 10-21
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: I
HS Code: 2904990090 · 2904990090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (91.8%)

Safety data

F: 10-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: PB2800000
ridadr: UN 3265 8/PG 2
hs_code: 2904990090
risk_code: 22-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: I
Hazard statements: H302-H314
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
Precautionary statements: P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesChloromethanesulfonyl Chloride is a very useful intermediate for organic synthesis. It enhances citric acid production by Aspergillus niger NCIM-1696 and increases the yield of citric acid. It also functions as a useful intermediate for pharmaceutical synthesis.