2-Amino-5-chlorobenzenesulphonic acid

HCID 8628CAS 133-74-4

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(Cl)cc1S(=O)(=O)O
InChIKey: ZCGVPUAAMCMLTM-UHFFFAOYSA-N
Molecular formula: C6H6ClNO3S
Average molar mass: 207.64 g/mol
Monoisotopic mass: 206.97569173

Names & identifiers

Preferred name: 2-Amino-5-chlorobenzenesulphonic acid
IUPAC: 2-amino-5-chlorobenzenesulfonic acid
English name: 5-Chloroorthanilic acid
Molecular formula: C6H6ClNO3S
Molecular weight: 207.63

Names & synonyms

2-amino-5-chlorobenzenesulfonic acid133-74-4EINECS 205-119-32-Amino-5-chlorobenzenesulphonic acidDTXSID80157900RefChem:464562DTXCID8080391205-119-35-Chloroorthanilic acidMFCD00035776Benzenesulfonic acid, 2-amino-5-chloro-2-amino-5-chlorobenzene-1-sulfonic acid

Show more names

Diazoxide ImpurityP-chloroaniline-2-sulfonic acidp-Chloroaniline-o-sulfonic acidHydrochlorothiazide Impurity 124-chloroaniline-2-sulphonic acidP-CHLOROANILINE-2-SULPHONIC ACID4-chlorophenylene-2-sulfonic acid

Diazoxide Impurity 1p-Chloranilin-o-sulfosaureSCHEMBL1755039AKOS0158908484-CHLOROANILINE-2-SULFONIC ACIDAMY63532-amino-5-chl2-amino-5-chloro-benzenesulfonic acid

Database identifiers

CAS: 133-74-4
PubChem CID: 8628
DTXSID: DTXSID80157900
UNII: TS6A5HE2KN
EC Number: 205-119-3
Nikkaji: J166.343G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 88.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 300 °C · >300°C
Density: 1.642 · 1.642±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: DMSO (Slightly), Water (Slightly)
form: Solid
pka: -1.76 · -1.76±0.42(Predicted)
color: White to Off-White
Water Solubility: 3.13 g/L · 3.13g/L(0 ºC)
Sensitive: Hygroscopic
CAS DataBase Reference: 133 · 133-74-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2921420090 · 2921420090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 11.1% (1 of 9) of reports.

Danger

H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 25-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27406

Hazard Classes and CategoriesSkin Irrit. 2 (77.8%)

Safety data

hs_code: 2921420090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-Amino-5-chlorobenzenesulfonic Acid can be used as reactant/reagent in determination of the dissociation constants of some newly synthesized arylhydrazones of indane-1,3-dione.

Upstream & downstream products

Upstream raw materials

Diphenyl sulfone 4-Chloroaniline Sulfamic acid,N-(4-chlorophenyl)-6-Chlorobenzothiazole Tetrahydrothiophene 4'-Chloroacetanilide Sulfuric acid Hydrochloric acid Sulfamic acid

Downstream products

4-Chloroaniline-3-sulfonic acid disodium 7-(acetylamino)-3-[[4-[(4-chloro-2-sulphonatophenyl)azo]-2,5-dimethylphenyl]azo]-4-hydroxynaphthalene-2-sulphonate 2-Naphthalenesulfonic acid, 7-(acetylamino)-3-[[4-[(4-chloro-2-sulfophenyl)azo]-3-methylphenyl]azo]-4-hydroxy-, disodium salt Naphtho[2,1-d]thiazole-8-sulfonic acid, 2-(4-aminophenyl)-7-[[4-[(4-chloro-2-sulfophenyl)azo]-2,5-dimethylphenyl]azo]-6-hydroxy-, disodium salt Naphtho[2,1-d]thiazole-8-sulfonic acid, 2-(4-aminophenyl)-7-[[4-[(4-chloro-2-sulfophenyl)azo]-3-methylphenyl]azo]-6-hydroxy-, disodium salt

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

Related reactions

1 records

New reaction record

HRID 1905014As reactantuspto-grants-1989_06

Linked notes

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