Benzenesulfonic acid, 3-amino-4-methyl-

HCID 69246
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
618-03-1
Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1N
InChIKey
DTNODBHGOLWROS-UHFFFAOYSA-N
Molecular formula
C7H9NO3S
Average molar mass
187.22 g/mol
Monoisotopic mass
187.03031415

Names & identifiers

Preferred name
Benzenesulfonic acid, 3-amino-4-methyl-
IUPAC
3-amino-4-methylbenzenesulfonic acid
English name
4-Methylmetanilic acid
Molecular formula
C7H9NO3S
Molecular weight
187.22

Names & synonyms

618-03-13-Amino-4-methylbenzenesulfonic acidBenzenesulfonic acid, 3-amino-4-methyl-3-Amino-p-toluenesulfonic acidp-Toluenesulfonic acid, 3-amino-2-Amino-4-toluenesulfonic acid1-Amino-2-methyl-5-benzenesulfonic acidNSC 7922EINECS 210-540-0DTXSID2060676RefChem:117906DTXCID6043127
Show more names
4-methylmetanilic acido-Toluidine-5-sulfonic acid2-Aminotoluene-4-suofonic acid3-amino-4-methyl-benzenesulfonicacio-Toluidine-5-sulfonic acid (NH2=1)2- nitrogenyl methyl -4- sulfonic acid3-azanyl-4-methyl-benzenesulfonic acid
2-Aminotoluene-4-sulfonic acid3-amino-4-methylbenzene-1-sulfonic acid2-Aminotoluene-4-sulphonic acidFH9NY245CD3-Amino-4-methyl-benzenesulfonic acidNSC-7922NSC7922UNII-FH9NY245CD

Database identifiers

CAS
618-03-1
PubChem CID
69246
DTXSID
DTXSID2060676
UNII
FH9NY245CD
EC Number
210-540-0
Nikkaji
J79.746D

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
88.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
374.86 ℃[at · 374.86℃[at 101 325 Pa]
Density
1.431 · 1.431±0.06 g/cm3(Predicted)
vapor pressure
0 Pa · 0Pa at 25℃
pka
-1.01 · -1.01±0.50(Predicted)
Water Solubility
17.4 g/L · 17.4g/L at 17℃
LogP
-1.53 at · -1.53 at 25℃

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationREACH registered substance: 2-aminotoluene-4-sulphonic acid (EC: 210-540-0)
Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319
REACH Registrations
Inactive
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

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

Suppliers29 total

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…