Basic information
- CAS
94-31-5- Standard SMILES
CN(CCCl)c1ccc(C=O)cc1- InChIKey
IYFULQJDHJGQKQ-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0607417
Names & identifiers
- Preferred name
- 4-((2-Chloroethyl)methylamino)benzaldehyde
- IUPAC
- 4-[2-chloroethyl(methyl)amino]benzaldehyde
- English name
- 4-((2-Chloroethyl)(methyl)amino)benzaldehyde
- Molecular formula
- C10H12ClNO
- Molecular weight
- 197.66
Names & synonyms
94-31-5Benzaldehyde, 4-[(2-chloroethyl)methylamino]-4-((2-Chloroethyl)methylamino)benzaldehydeC9U2A67KF3DTXSID6059100Benzaldehyde, 4-((2-chloroethyl)methylamino)-4-[(2-Chloroethyl)methylamino]benzaldehydeCEMABRefChem:96843DTXCID0048898202-321-34-((2-CHLOROETHYL)(METHYL)AMINO)BENZALDEHYDE
Show more names
4-((2-Chloroethyl)(m4-[(2-chloroethyl)methylamino]-benzaldehydN-Methyl-N-Chloroethyl-4-Amino BenzaldehydeN-Methyl-N-Chloroethyl-p-Amino Benzaldehyde4-(N-METHYL-N-CHLOROETHYL)AMINOBENZALDEHYDE4-(N-(2-Chloroethyl)-N-Methyl)Aminobenzaldehydep-N-(Methyl-N-2-Chloro Ethyl) Amino Benzaldehyde
4-[2-chloroethyl(methyl)amino]benzaldehydeMFCD000717774-(N-Methyl-N-(beta-chloroethyl))aminobenzaldehydep-[(2-chloroethyl)methylamino]benzaldehyde4-[(2-chloroethyl)(methyl)amino]benzaldehydeEINECS 202-321-3p-((2-Chloroethyl)methylamino)benzaldehyde4-[N-Methyl-N-(2-chloroethyl)]aminobenzaldehyde
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 70 °C · 70 °C
- Boiling point
- 328.7 · 328.7±27.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 1.47 · 1.47±0.50(Predicted)
- Appearance
- Off-white to light green Solid
- InChI
- InChI=1S/C10H12ClNO/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7H2,1H3
- InChIKey
- IYFULQJDHJGQKQ-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(N(CCCl)C)C=C1
- CAS DataBase Reference
- 94 · 94-31-5(CAS DataBase Reference)
- FDA UNII
- 9 U2A67KF3 · C9U2A67KF3
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-[(2-chloroethyl)methylamino]- (94-31-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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 ClassificationNot Classified
Hazard information
Regulatory InformationChemical: Benzaldehyde, 4-[(2-chloroethyl)methylamino]-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2922390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 4-[(2-chloroethyl)methylamino]-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers49 total
郑州阿尔法化工有限公司+86-18530059196 · [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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Hebei Shengyuan Jinlong Import and Export Co. LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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