Basic information
- CAS
96-78-6- Standard SMILES
CC(=O)Nc1ccc(N)c(S(=O)(=O)O)c1- InChIKey
PHRVJZNHPVJYOM-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4S
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.0361278
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 5-(acetylamino)-2-amino-
- IUPAC
- 5-acetamido-2-aminobenzenesulfonic acid
- English name
- 4-Aminoacetanilide-3-sulfonic acid
- Molecular formula
- C8H10N2O4S
- Molecular weight
- 230.24
Names & synonyms
96-78-65-Acetamido-2-aminobenzenesulfonic acidBenzenesulfonic acid, 5-(acetylamino)-2-amino-5-(Acetylamino)-2-aminobenzenesulfonic acid4-(Acetylamino)aniline-2-sulfonic acidEINECS 202-534-1NSC 36988Benzenesulfonic acid, 5-acetamido-2-amino-DTXSID7059141RefChem:118025DTXCID8048991Benzenesulfonic acid, 5-acetamido-2-amino-(8CI)
Show more names
5-Acetamidoorthanilic acid4-Aminoacetanilid-3-sulfonsure4-Aminoacetanilide-3-sulfonicaciP-AMINOACETANILIDE-3-SULFONIC ACIDP-AMINO ACETANILIDE-3-SULPHONIC ACID5-acetamido-2-azanyl-benzenesulfonic acid5-(acetylamino)-2-amino-benzenesulfonicaci
4-Aminoacetanilide-3-sulfonic acid5-Acetamido-2-aminobenzenesulphonic acid4-Aminoacetanilide-3-sulfonicacidNSC369885-acetamido-2-amino-benzenesulfonic acidSCHEMBL66550CBDivE_010505SCHEMBL341936
Database identifiers
- CAS
96-78-6- PubChem CID
- 66788
- DTXSID
DTXSID7059141- EC Number
- 202-534-1
- Nikkaji
- J168.275J
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 482.7 ℃[at · 482.7℃[at 101 325 Pa]
- Density
- 1.56 · 1.560±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- -1.23 · -1.23±0.45(Predicted)
- Water Solubility
- 13.5 g/L · 13.5g/L at 20℃
- LogP
- -2.98 at · -2.98 at 25℃
- CAS DataBase Reference
- 96 · 96-78-6(CAS DataBase Reference)
- EPA Substance Registry System
- 5 · Benzenesulfonic acid, 5-(acetylamino)-2-amino- (96-78-6)
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.
Not Classified
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 04-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20365
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Inactive
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 5-(acetylamino)-2-amino-: INACTIVE
Suppliers16 total
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
衢州市瑞尔丰化工有限公司0570-3066667
广州市禄涞医药科技有限公司13660253774 · [email protected]
重庆卡兰医药有限公司[email protected]
杭州药睿易成生物医药有限公司18072846723 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
2 records
Compound notes
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