Basic information
- CAS
3964-54-3- Standard SMILES
CC(=O)Nc1ccc(O)c(Cl)c1- InChIKey
JULKJDRBSRRBHT-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.02435618
Names & identifiers
- Preferred name
- 4-Acetylamino-2-chlorophenol
- IUPAC
- N-(3-chloro-4-hydroxyphenyl)acetamide
- English name
- 3-Chloro-4-hydroxyacetanilide
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
N-(3-Chloro-4-hydroxyphenyl)acetamide4-Acetylamino-2-chlorophenol2-Chloro-4-acetamidophenol3'-Chloro-4'-hydroxyacetanilide4-ACETAMIDO-2-CHLOROPHENOLUNII-E11430J0W2EINECS 223-570-4E11430J0W2DTXSID701927442-CHLORO-4-ACETYLAMINOPHENOLPARACETAMOL IMPURITY C [EP IMPURITY]ACETANILIDE, 3'-CHLORO-4'-HYDROXY-
Show more names
ParacetaMol IMpurity CParacetamol Impurity 3Acetaminophen Impurity 4Paracetamol Impurity C（EP）Acetaminophen EP Impurity C
PARACETAMOL IMPURITY C (EP IMPURITY)RefChem:97634DTXCID10115235JULKJDRBSRRBHT-UHFFFAOYSA-N3964-54-33-Chloro-4-hydroxyacetanilideParacetamol EP Impurity CMFCD01318123
Database identifiers
- CAS
3964-54-3- PubChem CID
- 77579
- DTXSID
DTXSID70192744- UNII
- E11430J0W2
- EC Number
- 223-570-4
- Nikkaji
- J217.794C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 143 · 143-144°C
- Boiling point
- 379.9 · 379.9±32.0 °C(Predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 8.44 · 8.44±0.18(Predicted)
- form
- Solid
- color
- White to Pale Purple
- FDA UNII
- 11430 J0W2 · E11430J0W2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 2924297099 · 2924297099
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (77.8%)
Safety data
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesParacetamol (Acetaminophen -A161220) impurity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers94 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
3 records
Compound notes
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