Basic information
- CAS
13244-33-2- Standard SMILES
COc1ccc(N)c(S(=O)(=O)O)c1- InChIKey
KZKGEEGADAWJFS-UHFFFAOYSA-N- Molecular formula
- C7H9NO4S
- Average molar mass
- 203.22 g/mol
- Monoisotopic mass
- 203.02522877
Names & identifiers
- Preferred name
- 2-Amino-5-methoxybenzenesulfonic acid
- IUPAC
- 2-amino-5-methoxybenzenesulfonic acid
- English name
- p-Anisidine-3-sulfonic acid
- Molecular formula
- C7H9NO4S
- Molecular weight
- 203.22
Names & synonyms
2-Amino-5-methoxybenzenesulfonic acid13244-33-2Benzenesulfonic acid, 2-amino-5-methoxy-4-Aminoanisole-3-sulfonic acid4-Methoxy-2-sulfoanilineEINECS 236-224-2UNII-HJU535J9322-Amino-5-methoxy benzenesulfonic acidBRN 3284409Kyselina 4-aminoanisol-3-sulfonova [Czech]HJU535J932Kyselina 4-aminoanisol-3-sulfonova
Show more names
4-ANDROSTENEDIONEp-Anisidine-3-Sulfonicp-Anisidine-3-sulfonicaciP-ANISIDINE-3-SULFONIC ACIDP-ANISIDINE-M-SULFONIC ACID4-Anisidine-3-sulfonic acid4-MeO-Aniline-2-sulfonic acidP-ANISIDINE 3 DISULFONIC ACID
DTXSID20653810-14-00-00813 (Beilstein Handbook Reference)RefChem:85278DTXCID2034095236-224-24-anisidine-2-sulfonicacid2-amino-5-methoxybenzene-1-sulfonic acidMFCD00035804
Database identifiers
- CAS
13244-33-2- PubChem CID
- 83260
- DTXSID
DTXSID2065381- UNII
- HJU535J932
- EC Number
- 236-224-2
- Nikkaji
- J54.501E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 314 · 314-318 C
- Density
- 1.454 · 1.4540 (rough estimate)
- refractive index
- 1.637 · 1.6370 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- -1.37 · -1.37±0.42(Predicted)
- color
- White to Gray to Brown
- InChI
- InChI=1S/C7H9NO4S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- InChIKey
- KZKGEEGADAWJFS-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=CC(OC)=CC=C1N
- CAS DataBase Reference
- 13244 · 13244-33-2(CAS DataBase Reference)
- FDA UNII
- 535 J932 · HJU535J932
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2-amino-5-methoxy- (13244-33-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20/21/22-43
- Safety Statements
- 37 · 37/39-26-36-36/37
- RTECS
- 4950000 · DB4950000
- TSCA
- TSCA listed
- HS Code
- 29221985 · 29221985
- Toxicity
- 50 · rat,LD50,oral,10gm/kg (10000mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1055, 1986.
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- tsca
- TSCA listed
- rtecs
- DB4950000
- hs_code
- 29221985
- Toxicity
- rat,LD50,oral,10gm/kg (10000mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1055, 1986.
- risk_code
- 36/37/38-20/21/22-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 37/39-26-36-36/37
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2-amino-5-methoxy-: ACTIVE
Applications
Usesp-Anisidine-3-sulfonic acid is used as an intermediate for acid, reactive, and direct dyes, such as Direct Red 8, 224, 243, Direct Blend Scarlet D-GLN, Reactive Red 8, 222, 33, 43, etc.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
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毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
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武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
Shenzhen Excellent Biotech Co., Ltd.13480692018 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
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上海博熠生物医药科技有限公司021-021-54331997 18321536537 · [email protected]
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Related reactions
3 records
Compound notes
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