2,4-Dichloro-5-(chlorosulphonyl)benzoic acid

HCID 77336

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3740-18-9
Standard SMILES: O=C(O)c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl
InChIKey: MPUNAIYDVXJQBJ-UHFFFAOYSA-N
Molecular formula: C7H3Cl3O4S
Average molar mass: 289.5 g/mol
Monoisotopic mass: 287.88176262

Names & identifiers

Preferred name: 2,4-Dichloro-5-(chlorosulphonyl)benzoic acid
IUPAC: 2,4-dichloro-5-chlorosulfonylbenzoic acid
English name: 2,4-dichloro-5-(chlorosulphonyl)benzoic acid
Molecular formula: C7H3Cl3O4S
Molecular weight: 289.52

Names & synonyms

3740-18-92,4-Dichloro-5-(chlorosulfonyl)benzoic acid2,4-Dichloro-5-(chlorosulphonyl)benzoic acidEINECS 223-127-5DTXSID70190841RefChem:443282DTXCID10113332223-127-52,4-dichloro-5-chlorosulfonyl-benzoic acid2,4-dichloro-5-chlorosulfonylbenzoic acidMFCD00486543Furosemide Impurity 41

Show more names

Atropine Mesylate2,4-dichloro-5-chlorosulfonylbenzoicaci

L32EB53ZN9Benzoic acid, 2,4-dichloro-5-(chlorosulfonyl)-2,4-Dichloro-5-chlorosulphonylbenzoic acidFurosemide Impurity 16Atropine Mesylate5-Chlorosulfonyl-2,4-dichlorobenzoic acidUNII-L32EB53ZN9SCHEMBL4716674

Database identifiers

CAS: 3740-18-9
PubChem CID: 77336
DTXSID: DTXSID70190841
UNII: L32EB53ZN9
EC Number: 223-127-5
Nikkaji: J27.023G

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 79.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 350

Physicochemical properties

Melting point: 178 · 178-180°
Density: 1.6523 · 1.6523 (estimate)
storage temp.: 2 · 2-8°C
form: solid
color: White
FDA UNII: 32 EB53ZN9 · L32EB53ZN9
Symbol(GHS): 8 · GHS08,GHS09
Signal word: Danger
Hazard statements: 320 · H320-H360-H351-H400
Precautionary statements: 501 · P501-P273-P202-P201-P264-P280-P391-P308+P313-P337+P313-P305+P351+P338-P405
RIDADR: 3261 · UN3261
HazardClass: 8 · 8
HS Code: 2916399090 · 2916399090
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (75%)

Safety data

ridadr: UN3261
hs_code: 2916399090
Signal word: Danger
Symbol(GHS): GHS08,GHS09
hazard_class: 8
Hazard statements: H320-H360-H351-H400
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P501-P273-P202-P201-P264-P280-P391-P308+P313-P337+P313-P305+P351+P338-P405