Basic information
- CAS
156-41-2- Standard SMILES
NCCc1ccc(Cl)cc1- InChIKey
SRXFXCKTIGELTI-UHFFFAOYSA-N- Molecular formula
- C8H10ClN
- Average molar mass
- 155.62 g/mol
- Monoisotopic mass
- 155.050177
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)ethylamine
- IUPAC
- 2-(4-chlorophenyl)ethanamine
- English name
- 4-Chlorophenethylamine
- Molecular formula
- C8H10ClN
- Molecular weight
- 155.62
Names & synonyms
156-41-24-Chlorophenethylamine2-(4-Chlorophenyl)ethylamine4-Chlorobenzeneethanamine4-chlorophenylethylamineDTXSID40166018RefChem:98594DTXCID4088509205-853-42-(4-Chlorophenyl)ethanamineBenzeneethanamine, 4-chloro-2-(4-chlorophenyl)ethan-1-amine
Show more names
5-bromo-4-(trifluoromethyl)pyridin-2-amine6-iodopyridazin-3-amine6-bromoimidazo[1,2-a]pyridin-2-amine(5-Fluoropyridin-3-yl)methanamine6-bromo-2,4-dimethylpyridin-3-amine6-bromoimidazo[1,2-a]pyridin-3-amine
p-Chlorophenethylamine2-(p-Chlorophenyl)ethylamine2-(4-chloro-phenyl)-ethylamineMFCD00008191p-chlorophenylethylamine1-Amino-2-(4-chlorophenyl)ethaneCHEMBL477764EINECS 205-853-4
Database identifiers
- CAS
156-41-2- PubChem CID
- 67430
- DTXSID
DTXSID40166018- ChEMBL
CHEMBL477764- EC Number
- 205-853-4
- Nikkaji
- J5.182I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Experimental & physicochemical properties
Collision Cross Section132.53 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 60 · 60-65 °C0.1 mm Hg(lit.)
- Density
- 1.112 g/mL · 1.112 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.548(lit.)
- Flash point
- 223 °F · 223 °F
- storage temp.
- Store Cold
- form
- Liquid
- pka
- 9.72 · 9.72±0.10(Predicted)
- Specific Gravity
- 1.12 · 1.12
- color
- Clear colorless to yellow
- BRN
- 508247 · 508247
- InChI
- InChI=1S/C8H10ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
- InChIKey
- SRXFXCKTIGELTI-UHFFFAOYSA-N
- SMILES
- C1(CCN)=CC=C(Cl)C=C1
- CAS DataBase Reference
- 156 · 156-41-2(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,C,T
- Risk Statements
- 36 · 36/37/38-34
- Safety Statements
- 26 · 26-36-45-36/37/39
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive
- HazardClass
- IRRITANT
- HS Code
- 29214990 · 29214990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29214990
- risk_code
- 36/37/38-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C,T
- hazard_note
- Corrosive
- safety_code
- 26-36-45-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-(4-Chlorophenyl)ethylamine has been used as a reactant in the preparation of isoalloxazine derivatives as cholinesterase inhibitors with a potential use in Alzheimer therapy.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
156 records
Compound notes
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