Basic information
- CAS
133-78-8- Standard SMILES
Cc1cc(N)ccc1S(=O)(=O)O- InChIKey
ZDIRCGKEOWZBIM-UHFFFAOYSA-N- Molecular formula
- C7H9NO3S
- Average molar mass
- 187.22 g/mol
- Monoisotopic mass
- 187.03031415
Names & identifiers
- Preferred name
- 5-Aminotoluene-2-sulphonic acid
- IUPAC
- 4-amino-2-methylbenzenesulfonic acid
- English name
- M-TOLUIDINE-4-SULFONIC ACID
- Molecular formula
- C7H9NO3S
- Molecular weight
- 187.22
Names & synonyms
4-amino-2-methylbenzenesulfonic acid5-Aminotoluene-2-sulphonic acidRefChem:532473205-120-9133-78-8m-Toluidine-4-sulfonic Acido-Toluenesulfonic acid, 4-amino-Benzenesulfonic acid, 4-amino-2-methyl-MFCD000357744-Amino-o-toluenesulfonic acid4-amino-2-methylbenzene-1-sulfonic acidBRN 2098723
Show more names
P-TOLUIDINE-4-SULFONIC ACID4-amino-o-toluenesulfonicaci4-amino-o-toluenesulfonicacidm-Toluidine-4-sulfonicAcid>kyselina3-toluidin-6-sulfonova3-Aminotoluene-6-sulfonic acid5-AMINOTOLUENE-2-SULFONIC ACID
3-Methylaniline-4-sulfonic AcidEINECS 205-120-9Kyselina 3-toluidin-6-sulfonova [Czech]Kyselina 3-toluidin-6-sulfonovaKC5PZT4ANJ3-14-00-02210 (Beilstein Handbook Reference)SCHEMBL158649SCHEMBL158650
Database identifiers
- CAS
133-78-8- PubChem CID
- 67248
- DTXSID
DTXSID40157901- UNII
- KC5PZT4ANJ
- EC Number
- 205-120-9
- Nikkaji
- J36.209C
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
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 500 °C · 500°C (rough estimate)
- Density
- 1.3553 · 1.3553 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- pka
- -1.13 · -1.13±0.50(Predicted)
- color
- Needles or plates
- Water Solubility
- 4.5 g/L · 4.5g/L(20 ºC)
- CAS DataBase Reference
- 133 · 133-78-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 320 · H320
- Precautionary statements
- 264 · P264-P305+P351+P338+P337+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RTECS
- 6325000 · XT6325000
- HS Code
- 2921.43 · 2921.43.9090
- Toxicity
- 500 mg/24H · eye-rbt 500 mg/24H SEV 28ZPAK -,183,72
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- rtecs
- XT6325000
- hs_code
- 2921.43.9090
- Toxicity
- eye-rbt 500 mg/24H SEV 28ZPAK -,183,72
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H320
- Precautionary statements
- P264-P305+P351+P338+P337+P313
Chemistry & industry
Suppliers29 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
九鼎化学（上海）科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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