Basic information
- CAS
54255-50-4- Standard SMILES
CC(=O)c1ccc(O)c(N)c1- InChIKey
OMLRRXLWJXURTK-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 3'-Amino-4'-hydroxyacetophenone
- IUPAC
- 1-(3-amino-4-hydroxyphenyl)ethanone
- English name
- Ethanone, 1-(3-amino-4-hydroxyphenyl)- (9CI)
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
3'-Amino-4'-hydroxyacetophenoneRefChem:484607835-026-91-(3-amino-4-hydroxyphenyl)ethanone54255-50-41-(3-amino-4-hydroxyphenyl)ethan-1-oneMFCD06657507Ethanone, 1-(3-amino-4-hydroxyphenyl)- (9CI)2-amino-4-methylcarbonylphenolEthanone, 1-(3-amino-4-hydroxyphenyl)-SCHEMBL3287715DTXSID40547686
Show more names
1-(3-amino-4-hydroxyphenyl)ethanone - [AC78491]
CCG-302579SB76558CS-00964172-amino-4-acetylphenolSCHEMBL30527097ALBB-014349AKOS0051743521-(3-amino-4-hydroxy-phenyl)ethanone
Database identifiers
- CAS
54255-50-4- PubChem CID
- 13724142
- DTXSID
DTXSID40547686- EC Number
- 835-026-9
- Nikkaji
- J89.855D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 361.5 · 361.5±27.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 7.96 · 7.96±0.18(Predicted)
- form
- powder to crystal
- color
- Light yellow to Brown to Dark green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2921290090 · 2921290090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2921290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Preparation methods
PreparationAlso obtained by reduction of 4-hydroxy-3-nitro-acetophenone by catalytic hydrogenation with hydrogen in the presence of, Pd/C in ethanol; Pt on carbon disulfide in ethanol.
Suppliers32 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe
Related reactions
6 records
Compound notes
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