Basic information
- CAS
40306-75-0- Standard SMILES
CC(=O)Nc1cc(S(=O)(=O)O)cc(N)c1O- InChIKey
SFUJTLIHMWZDTL-UHFFFAOYSA-N- Molecular formula
- C8H10N2O5S
- Average molar mass
- 246.24 g/mol
- Monoisotopic mass
- 246.0310426
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 3-(acetylamino)-5-amino-4-hydroxy-
- IUPAC
- 3-acetamido-5-amino-4-hydroxybenzenesulfonic acid
- English name
- 3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid
- Molecular formula
- C8H10N2O5S
- Molecular weight
- 246.24
Names & synonyms
3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acidBenzenesulfonic acid, 3-(acetylamino)-5-amino-4-hydroxy-EINECS 254-879-2NSC 2293133-Acetamido-5-amino-4-hydroxybenzenesulphonic acidDTXSID90885424EC 254-879-2RefChem:564310DTXCID101024804254-879-240306-75-03-Acetamido-5-amino-4-hydroxybenzenesulfonic acid
Show more names
6-ACLAP(AAPS) (ACLAP)6 Acetyl amino O.A.P.S.A.3-(ACETYLAMINO)-5-AMINO-4-HYDROXYBENZEN&6-Acylamino-2-aminophenol-4-sulfonicacid6-ACETYAMINO-2-AMINOPHENOL-4-SULFONICACID6-ACETAMIDO-2-AMINOPHENOL-4-SULFONIC ACID6-ACETYLAMINO-2AMINOPHENOL-4-SULFONIC ACID3-ACETAMIDO-2-HYDROXYANILINE-5-SULFONICACID6-acetylamino-2-aminophenol-4-sulphonicacid
XV96F4V45UNSC-229313NSC2293133-Acetamido-5-amino-4-hydroxybenzenesulfonicacidUNII-XV96F4V45USCHEMBL343265SCHEMBL343266SFUJTLIHMWZDTL-UHFFFAOYSA-N
Database identifiers
- CAS
40306-75-0- PubChem CID
- 99501
- DTXSID
DTXSID90885424- UNII
- XV96F4V45U
- EC Number
- 254-879-2
- Nikkaji
- J43.068D
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 411.6 ℃[at · 411.6℃[at 101 325 Pa]
- Density
- 1.686 · 1.686±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- solubility
- 666.667 mg/L · 666.667mg/L in organic solvents at 20 ℃
- pka
- -1.65 · -1.65±0.50(Predicted)
- Water Solubility
- 1.3 · 1.3-2g/L at 20-30℃
- LogP
- -0.301 at · -0.301 at 30℃
- CAS DataBase Reference
- 40306 · 40306-75-0(CAS DataBase Reference)
- FDA UNII
- 96 F4V45U · XV96F4V45U
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3-(acetylamino)-5-amino-4-hydroxy- (40306-75-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
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
This chemical does not meet GHS hazard criteria for 18.4% (9 of 49) of reports.
Warning
H315 (81.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3-acetamido-5-amino-4-hydroxybenzenesulphonic acid (EC: 254-879-2)
Hazard Classes and CategoriesSkin Irrit. 2 (81.6%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 3-(acetylamino)-5-amino-4-hydroxy-: INACTIVE
Suppliers30 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
广州济成进出口贸易有限公司13682223272 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
广州千行进出口有限公司020-37651955 13682223272 · [email protected]
武汉麟盛科技有限公司18162769939 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Henan Yufu New Materials Co.,Ltd[email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
武汉鹏垒生物科技有限公司15871464247 17307245989 · [email protected]
重庆卡兰医药有限公司[email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
杭州药睿易成生物医药有限公司18072846723 19357267848 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
武汉裕清嘉衡药业有限公司027-83855312 17771813295 13377865312 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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