Basic information
- CAS
4903-36-0- Standard SMILES
ClC(=Nc1ccccc1)c1ccccc1- InChIKey
WFOFSUPMQDLYOM-UHFFFAOYSA-N- Molecular formula
- C13H10ClN
- Average molar mass
- 215.68 g/mol
Names & identifiers
- Preferred name
- N-Phenylbenzimidoyl chloride
- IUPAC
- N-phenylbenzenecarboximidoyl chloride
- English name
- N-(α-Chlorobenzylidene)aniline
- Molecular formula
- C13H10ClN
- Molecular weight
- 215.68
Names & synonyms
N-PHENYLBENZIMIDOYL CHLORIDEDTXSID00295111RefChem:830983DTXCID00246249625-057-44903-36-0N-Phenyl-benzimidoyl chlorideN-phenylbenzenecarboximidoyl chlorideMFCD00040148NSC99735N-PHENYLBENZENECARBONIMIDOYL CHLORIDETimTec1_000480
Show more names
N-(α-Chlorobenzylidene)anilineN-Phenylbenzimidic acid chlorideN-Phenylbenzimidoyl chloride 95%α-Chloro-N-phenylbenzenemethanimineN-phenylbenzenecarboximidoylchlorideN-(α-Chlorobenzylidene)benzen-1-amineBenzenecarboximidoyl chloride, N-phenyl-
N-phenylbenzoimidoyl chlorideNCIOpen2_006592SCHEMBL4624489SCHEMBL4624494N-PHENYLBENZIMIDOYLCHLORIDEWFOFSUPMQDLYOM-UHFFFAOYSA-NHMS1535F18N-Phenylbenzimidoyl chloride, 95%
Database identifiers
- CAS
4903-36-0- PubChem CID
- 264587
- DTXSID
DTXSID00295111- EC Number
- 625-057-4
- Nikkaji
- J371.305I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 38 · 38-43°C
- Boiling point
- 174 · 174-176 °C(Press: 12 Torr)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 0.27 · 0.27±0.50(Predicted)
- form
- lumps
- BRN
- 511861 · 511861
- InChI
- 1S/C13H10ClN/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
- InChIKey
- WFOFSUPMQDLYOM-UHFFFAOYSA-N
- SMILES
- ClC(=Nc1ccccc1)c2ccccc2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8 / PGIII
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
4 records
Compound notes
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