2-Amino-4-sulfobenzoic acid

HCID 66822

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Basic information

CAS: 98-43-1
Standard SMILES: Nc1cc(S(=O)(=O)O)ccc1C(=O)O
InChIKey: GRGSHONWRKRWGP-UHFFFAOYSA-N
Molecular formula: C7H7NO5S
Average molar mass: 217.2 g/mol
Monoisotopic mass: 217.0044935

Overview

structure in first source

Names & identifiers

Preferred name: 2-Amino-4-sulfobenzoic acid
IUPAC: 2-amino-4-sulfobenzoic acid
English name: 2-Amino-4-sulfobenzoic acid
Molecular formula: C7H7NO5S
Molecular weight: 217.2

Names & synonyms

2-amino-4-sulfobenzoic acid98-43-1Benzoic acid, 2-amino-4-sulfo-87T8B9176EDTXSID4059172RefChem:85230DTXCID7049055202-668-04-Sulphoanthranilic acid4-sulfoanthranilic acidUNII-87T8B9176E2-AMINO-4-SULFOBENZOICACID

Show more names

4-Sulfo anthrailic acid2-amino-4-sulfo-benzoicaci4-SULFO-2-AMINOBENZOIC ACID2-amino-4-sulfonicbenzoicacid2-azanyl-4-sulfo-benzoic acid4-SULPHOANTHRANILICACID/BASACID4-SULPHO ANTRALINIC ACID (S.A.B.A.)

EINECS 202-668-0p-SulfoanthranilsaureEC 202-668-0SCHEMBL344110SCHEMBL3441112-amino-4-sulfo-benzoic acidGRGSHONWRKRWGP-UHFFFAOYSA-NANTHRANILIC ACID, 4-SULFO-

Database identifiers

CAS: 98-43-1
PubChem CID: 66822
DTXSID: DTXSID4059172
UNII: 87T8B9176E
EC Number: 202-668-0
Nikkaji: J25.856C

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 126 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 319

Physicochemical properties

Boiling point: 360 ℃ · 360℃ at 97.5kPa
Density: 1.709 · 1.709±0.06 g/cm3(Predicted)
vapor pressure: 0 · 0-0Pa at 25℃
form: Solid
pka: -1.59 · -1.59±0.50(Predicted)
Dissociation constant: 0.055 · 0.055-0.056 at 28℃
CAS DataBase Reference: 98 · 98-43-1(CAS DataBase Reference)
FDA UNII: 87 T8B9176E · 87T8B9176E
EPA Substance Registry System: 2 · Benzoic acid, 2-amino-4-sulfo- (98-43-1)
TSCA: TSCA listed
REACH Registrations: Inactive

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (9 of 9) of all reports.

Not Classified

Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationREACH registered substance: 4-sulphoanthranilic acid (EC: 202-668-0)

Hazard Classes and CategoriesNot Classified

Safety data

tsca: TSCA listed
REACH Registrations: Inactive

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 2-amino-4-sulfo-: ACTIVE

Applications · 1 item

Description2-Amino-4-sulfobenzoic acid is freely soluble in hot water, less soluble in cold water. The compound is obtained at a moderate yield by treating 4-methyl-3-nitrobenzenesulfonic acid with sodium hydroxide solution. This acid is used mainly in the manufacture of diazoamino compounds of the R-N=N-NH-R' type. As mixtures with naphthols these compounds have acquired importance as printing inks (Rapidogen dyes).

Upstream & downstream products

Downstream products

Suppliers27 total

宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]

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

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

湖北兴琰新材料科技有限公司13129948835 · [email protected]

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