Basic information
- CAS
66158-49-4- Standard SMILES
N#CCC(=O)NCc1ccc(Cl)cc1- InChIKey
UKKHUKFEKBKULS-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.0403406
Names & identifiers
- Preferred name
- N-(4-Chloro-benzyl)-2-cyano-acetamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-2-cyanoacetamide
- English name
- N-(4-CHLOROBENZYL)-2-CYANOACETAMIDE
- Molecular formula
- C10H9ClN2O
- Molecular weight
- 208.64
Names & synonyms
n-(4-chloro-benzyl)-2-cyano-acetamideRefChem:827406658-443-6n-(4-chlorobenzyl)-2-cyanoacetamide66158-49-4N-[(4-chlorophenyl)methyl]-2-cyanoacetamideMFCD00955059Acetamide, N-[(4-chlorophenyl)methyl]-2-cyano-SCHEMBL2260845DTXSID90351093UKKHUKFEKBKULS-UHFFFAOYSA-NHMS1760D16
Show more names
SKL806TIMTEC-BB SBB000477N-[(4-chlorophenyl)methyl]-2-cyano-acetamideN-[(4-chlorophenyl)methyl]-2-cyano-ethanamide
ALBB-024776SBB000477STL290659AKOS000115281JS-1392ST009340DB-054876CS-0313936
Database identifiers
- CAS
66158-49-4- PubChem CID
- 690673
- DTXSID
DTXSID90351093- EC Number
- 658-443-6
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 120 · 120-122
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2926907090 · 2926907090
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
3 records
Compound notes
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