Benzenemethanamine, 3-chloro-
Basic information
- CAS
4152-90-3- Standard SMILES
NCc1cccc(Cl)c1- InChIKey
BJFPYGGTDAYECS-UHFFFAOYSA-N- Molecular formula
- C7H8ClN
- Average molar mass
- 141.6 g/mol
- Monoisotopic mass
- 141.03452694
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-chloro-
- IUPAC
- (3-chlorophenyl)methanamine
- English name
- 3-Chlorobenzylamine
- Molecular formula
- C7H8ClN
- Molecular weight
- 141.6
Names & synonyms
3-Chlorobenzylamine4152-90-31-(3-chlorophenyl)methanamineBenzenemethanamine, 3-chloro-EINECS 223-985-0DTXSID4063323RefChem:563270DTXCID9039941223-985-0InChI=1/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H(3-Chlorophenyl)methanaminem-Chlorobenzylamine
Show more names
TIMTEC-BB SBB004155RARECHEM AL BW 00193-Chlorobenzylamine 97%3-Chlorobenzylamine,98%3-Chlorobenzylamine >3-Chlorobenzylamine, 97+%3-chloro-benzenemethanamin
3-chlorobenzyl amine3-Chloro-benzylamineMFCD00040752CHEMBL12957m-chlorobenzyl amine3-chloro benzylamine3-chloro benzyl amine3-chloro-benzyl amine
Database identifiers
- CAS
4152-90-3- PubChem CID
- 77802
- DTXSID
DTXSID4063323- ChEMBL
CHEMBL12957- EC Number
- 223-985-0
- Nikkaji
- J208.256J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 226 °C · 226 °C
- Density
- 1.16 · 1.16
- refractive index
- 20 · n 20/D 1.559 (lit.)
- Flash point
- 98 °C · 98 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 8.77 · 8.77±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.159 · 1.159
- Sensitive
- Air Sensitive
- BRN
- 774509 · 774509
- InChI
- 1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 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 Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 2921499090
- risk_code
- 34-20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, 3-chloro-: INACTIVE
Applications
Uses3-Chlorobenzylamine is used as pharmaceutical, pesticide and dye intermediates. It is used in the synthesis of 3-Chlorobenzamide and N-(3-Chlorobenzyl)-4-(2-indolyl)-2-pyrimidinamine.
General Description3-Chlorobenzylamine undergoes reductive amination during dihydroquinolone synthesis. It is used in the synthesis of N- (3-chlorobenzyl) toluene-p-sulphonamide.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
164 records
Compound notes
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