CAS 1633-82-5 3-Chloropropanesulphonyl chloride (HCID 15410)

Names & identifiers

Preferred name: 3-Chloropropanesulphonyl chloride
IUPAC: 3-chloropropane-1-sulfonyl chloride
English name: 3-Chloropropanesulfonyl chloride
Molecular formula: C3H6Cl2O2S
Molecular weight: 177.05

Names & synonyms

3-Chloropropanesulfonyl chloride1633-82-51-Propanesulfonyl chloride, 3-chloro-3-Chloro-1-propanesulfonyl chloride3-Chloropropanesulphonyl chloride3-Chloropropylsulfonyl chloridePROPANESULFONYL CHLORIDE, CHLORO-gamma-Chloropropanesulfonyl chlorideEINECS 216-646-326KZB8ERS7NSC 93777TL 136

Show more names

tl136oropropanesuL3-Chloropropanesulfo3-Chloropropanesulfonylchloro-propanesulfonylchlorid3-chloropropylsulfonylchloridechloro-propanesulfonyl chlorideg-Chloropropanesulfonyl chloride

BRN 1754119NSC-93777DTXSID30167559RefChem:5005163chloropropanesulfonyl chloride3Chloropropanesulphonyl chloride3Chloro1propanesulfonyl chlorideDTXCID9090050

Database identifiers

CAS: 1633-82-5
PubChem CID: 15410
DTXSID: DTXSID30167559
UNII: 26KZB8ERS7
EC Number: 216-646-3
Nikkaji: J195.262E

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 134

Experimental & physicochemical properties

Physical DescriptionClear colorless to light yellow liquid; [Acros Organics MSDS]

Physicochemical properties

Boiling point: 70 °C/0.5 · 70 °C/0.5 mmHg (lit.)
Density: 1.456 g/mL · 1.456 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.489(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
solubility: Soluble in dichloromethane, ethyl Acetate and hexane.
form: Liquid
color: Clear colorless to light brown
Sensitive: Lachrymatory
BRN: 1754119 · 1754119
InChI: InChI=1S/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2
InChIKey: GPKDGVXBXQTHRY-UHFFFAOYSA-N
SMILES: C(S(Cl)(=O)=O)CCCl
CAS DataBase Reference: 1633 · 1633-82-5(CAS DataBase Reference)
FDA UNII: 26 KZB8ERS7 · 26KZB8ERS7
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-36/37/39-45-24/25
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
RTECS: 6670000 · TZ6670000
F: 10 · 10-19-21
Hazard Note: Corrosive/Lachrymatory
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049090 · 29049090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (91.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards SummaryReacts with water evolving toxic gas; Causes burns and lachrymation; Inhalation may cause corrosive injuries to respiratory tract; [Acros Organics MSDS] See 1-Butanesulfonyl chloride.

Hazard Classes and CategoriesSkin Corr. 1B (100%)；STOT SE 3 (91.4%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Toxicity DataLCLo (mouse) = 1,160 mg/m3/10min

Safety data

F: 10-19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: TZ6670000
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45-24/25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H314-H335
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesGeneration and trapping of the derived sulfene with imines and glyoxylates in the presence of chinchona alkaloids provide chiral sultams1 and sultones.2

Uses3-Chloropropanesulfonyl Chloride is an intermediate used in the preparation of many enzymatic inhibitors. It is also used in the generation and trapping of the derived sulfene with imines and glyoxylates in the presence of chinchona alkaloids provide chiral sultams and sultones. It is mainly used for the synthesis of pharmaceutical intermediates.