4-Amino-3-methylbenzenesulfonic acid (HCID 7384)

Names & identifiers

Preferred name: 4-Amino-3-methylbenzenesulfonic acid
IUPAC: 4-amino-3-methylbenzenesulfonic acid
English name: 2-Aminotoluene-5-sulfonic acid
Molecular formula: C7H9NO3S
Molecular weight: 187.22

Names & synonyms

98-33-94-Amino-3-methylbenzenesulfonic acidBenzenesulfonic acid, 4-amino-3-methyl-6-Aminotoluene-3-sulfonic acido-Toluidine-m-sulfonic acidET833CB2KUCCRIS 3412AI3-16579UNII-ET833CB2KUNSC-7545EINECS 202-658-6o-Toluidine-4-sulfonic acid

Show more names

OTS2-TOLUIDINE-5-SULFONIC ACID6-Amino-m-toluensulfonic acid4-Amino-3-methylbenzene-1-sulfonic acid2-Amino-5-sulfotoluene3-methylsulphanilic acid2-Aminotoluene-5-sulfoni

2-methylaniline-4-sulfonic acid2-METHYL-4-SULFOANILINEDTXSID5059167RefChem:97753DTXCID2049050202-658-6WQTCZINVPXJNEL-UHFFFAOYSA-N2-Aminotoluene-5-sulfonic acid

Database identifiers

CAS: 98-33-9
PubChem CID: 7384
DTXSID: DTXSID5059167
UNII: ET833CB2KU
EC Number: 202-658-6
Nikkaji: J79.442B

Properties

Computed structural properties

XLogP: 0
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: 244

Physicochemical properties

Melting point: 290 °C · 290°C
Density: 1.3553 · 1.3553 (rough estimate)
refractive index: 1.61 · 1.6100 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
pka: 1 · pK1: 3.125 (25°C)
form: powder
color: Faint beige to faint red/orange
Water Solubility: 5 g/L · 5g/L(20 ºC)
InChI: InChI=1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
InChIKey: WQTCZINVPXJNEL-UHFFFAOYSA-N
SMILES: C1(S(O)(=O)=O)=CC=C(N)C(C)=C1
LogP: 0.076 at · 0.076 at 25℃
CAS DataBase Reference: 98 · 98-33-9(CAS DataBase Reference)
FDA UNII: 833 CB2KU · ET833CB2KU
EPA Substance Registry System: 4 · Benzenesulfonic acid, 4-amino-3-methyl- (98-33-9)
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
Hazard Codes: T
Risk Statements: 45 · 45-34
Safety Statements: 53 · 53-26-36/37/39-45
RIDADR: 2811 · 2811
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2921420090 · 2921420090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (15.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 133 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenesulfonic acid, 4-amino-3-methyl-

Status: Active Update: 11-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17643

Hazard Classes and CategoriesSkin Irrit. 2 (15.8%)

Safety data

tsca: TSCA listed
ridadr: 2811
hs_code: 2921420090
risk_code: 45-34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 53-26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 4-amino-3-methyl-: ACTIVE

Applications · 2 items

Description2-Aminotoluene-5-sulfonic acid is prepared from o-toluidine and 98 % H2SO4 via the sulfate, which is then baked. The sodium salt can be isolated after liming and precipitation of calcium sulfate. The solution can be used directly in the manufacture of dyes.

Uses2-Aminotoluene-5-sulfonic acid is used as a dye intermediate.

Upstream & downstream products

Upstream raw materials

Downstream products

DIRECT ORANGE 118 Acid Brown 2 Acid orange 8 trisodium 4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[(o-tolyl)azo]-2-naphthyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulphonatophenyl)azo]naphthalene-2-sulphonate disodium 7-(benzoylamino)-4-hydroxy-3-[[3-methyl-4-[(2-methyl-4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate disodium hydrogen bis[4-[[2,6-dihydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]phenyl]azo]-3- methylbenzenesulphonato(3-)]chromate(3-)2-Hydroxy-5-[(2-methyl-4-sulfophenyl)azo]benzoic acid disodium salt DIRECT RED 24

Suppliers50 total

江西益众化工有限公司15307925109 15350027073 · [email protected]

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]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

3 records

New reaction record

HRID 804492As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 890503As reactantuspto-grants-2006_02

HRID 890504As reactantuspto-grants-2006_02

Linked notes

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Basic information