Basic information
- CAS
302909-51-9- Standard SMILES
CCCCCCCNC(=O)c1cccc(Cl)c1- InChIKey
SCYWBGROYTZINS-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO
- Average molar mass
- 253.77 g/mol
- Monoisotopic mass
- 253.123342
Names & identifiers
- Preferred name
- 3-Chloro-N-heptylbenzamide
- IUPAC
- 3-chloro-N-heptylbenzamide
- English name
- Benzamide, 3-chloro-N-heptyl-
- Molecular formula
- C14H20ClNO
- Molecular weight
- 253.77
Names & synonyms
3-chloro-N-heptylbenzamide302909-51-9RefChem:500436657-597-1Benzamide, 3-chloro-N-heptyl-SCYWBGROYTZINS-UHFFFAOYSA-NDTXSID501377083(3-chlorophenyl)-N-heptylcarboxamideSTK217883AKOS003277623ST014459
Database identifiers
- CAS
302909-51-9- PubChem CID
- 3597656
- DTXSID
DTXSID501377083- EC Number
- 657-597-1
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 377.9 · 377.9±25.0 °C(Predicted)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- pka
- 14.56 · 14.56±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 410 · H410-H335-H318-H315
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, 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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H410-H335-H318-H315
- Precautionary statements
- P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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