Basic information
- CAS
777-84-4- Standard SMILES
O=C(CCl)Oc1ccc([N+](=O)[O-])cc1- InChIKey
DYFFUJNIXCDLOR-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO4
- Average molar mass
- 215.59 g/mol
- Monoisotopic mass
- 214.99853535
Overview
RN given refers to cpd without locant for chloro group
Names & identifiers
- Preferred name
- 4-Nitrophenyl chloroacetate
- IUPAC
- (4-nitrophenyl) 2-chloroacetate
- English name
- 4-Nitrophenyl chloroacetate
- Molecular formula
- C8H6ClNO4
- Molecular weight
- 215.59
Names & synonyms
4-nitrophenyl chloroacetate777-84-4DTXSID60228329RefChem:100099DTXCID30150820DTXCID60509968636-076-22-Chloro-4-nitrophenyl acetateDTXSID405591884-NITROPHENYL 2-CHLOROACETATE(4-nitrophenyl) 2-chloroacetate79328-69-1
Show more names
RMA03113TIMTEC-BB SBB005808Phenyl Acetate Impurity 101(4-nitrophenyl) 2-chloroethanoateAcetic acid, chloro-, p-nitrophenyl ester
MFCD00024662Acetic acid, chloro-, 4-nitrophenyl ester2-chloroacetic acid (4-nitrophenyl) esterNSC8274AI3-23373p-nitrophenyl chloroacetatep-nitro-phenyl chloroacetateSCHEMBL2294260
Database identifiers
- CAS
777-84-4、79328-69-1- PubChem CID
- 94917
- DTXSID
DTXSID60228329- ChEMBL
CHEMBL3272658- EC Number
- 676-839-7
- Nikkaji
- J293.886C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 73 · 73-75 °C
- Boiling point
- 334.48 · 334.480±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator (+4°C)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H318-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers7 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
1 records
Compound notes
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