CAS 445-05-6 5-Fluoro-2-methylbenzenesulphonyl chloride (HCID 136286)

Names & identifiers

Preferred name: 5-Fluoro-2-methylbenzenesulphonyl chloride
IUPAC: 5-fluoro-2-methylbenzenesulfonyl chloride
English name: 5-FLUORO-2-METHYLBENZENESULFONYL CHLORIDE
Molecular formula: C7H6ClFO2S
Molecular weight: 208.64

Names & synonyms

445-05-65-Fluoro-2-methylbenzenesulphonyl chlorideDTXSID80196197RefChem:102630DTXCID90118688NPEWBMJAUUSBLE-UHFFFAOYSA-N5-Fluoro-2-methylbenzenesulfonyl chloride5-fluoro-2-methylbenzene-1-sulfonyl chloride5-fluoro-2-methyl-benzenesulfonyl chlorideMFCD000529585-fluoro-2-methylbenzenesulfonylchlorideBenzenesulfonyl chloride, 5-fluoro-2-methyl-

Show more names

2-(Chlorosulphonyl)-4-fluorotoluene5-FLUORO-O-TOLUENESULFONYL CHLORIDE5-Fluoro-o-toluenesulphonyl chloride-FLUORO-2-METHYLBENZENESULFONYL CHLORIDE2-methyl-5-fluorobenzene sulphonyl chloride5-Fluoro-2-methylbenzenesulfonylchloride,97%5-Fluoro-2-methylbenzenesulphonylchloride97%

chloro(5-fluoro-2-methylphenyl)sulfone2-METHYL-5-FLUOROBENZENESULFONYL CHLORIDESCHEMBL533075SCHEMBL31674581ALBB-001004SBB046741STK502397AKOS000145119

Database identifiers

CAS: 445-05-6
PubChem CID: 136286
DTXSID: DTXSID80196197
EC Number: 626-483-3
Nikkaji: J2.491.441K

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 247

Physicochemical properties

Melting point: 123 · 123-125 °C
Boiling point: 62 °C · 62 °C (0.2 mmHg)
Density: 1.423 g/mL · 1.423 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.5355(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
Sensitive: Moisture Sensitive
BRN: 2643541 · 2643541
InChI: 1S/C7H6ClFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3
InChIKey: NPEWBMJAUUSBLE-UHFFFAOYSA-N
SMILES: Cc1ccc(F)cc1S(Cl)(=O)=O
CAS DataBase Reference: 445 · 445-05-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-29
Safety Statements: 23 · 23-26-36/37/39-45-22
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
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. 1B
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 · 4 items

Danger

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

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

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 34-29
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 23-26-36/37/39-45-22
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
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. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405