Basic information
- CAS
89-97-4- Standard SMILES
NCc1ccccc1Cl- InChIKey
KDDNKZCVYQDGKE-UHFFFAOYSA-N- Molecular formula
- C7H8ClN
- Average molar mass
- 141.6 g/mol
- Monoisotopic mass
- 141.034527
Names & identifiers
- Preferred name
- 2-Chlorobenzylamine
- IUPAC
- (2-chlorophenyl)methanamine
- English name
- 2-Chlorobenzylamine
- Molecular formula
- C7H8ClN
- Molecular weight
- 141.6
Names & synonyms
2-Chlorobenzylamineo-ChlorobenzylamineBenzenemethanamine, 2-chloro-Benzylamine, o-chloro-2-Chlorobenzenemethanamine(2-chlorophenyl)methylamineUNII-L790J4Y7A3L790J4Y7A3EINECS 201-955-8NSC 60118NSC-60118DTXSID3059002
Show more names
(2-Chlorophenyl)methanamineOCAMNCAM21MGC51008HGNC:7657JACS-89-97-4O-benzylaMineChlorobenzylaMineAKOS BBS-00003608
EC 201-955-8TICLOPIDINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]TICLOPIDINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)RefChem:86460Benzylamine, o-chloro-(8CI)DTXCID6048672201-955-8KDDNKZCVYQDGKE-UHFFFAOYSA-N
Database identifiers
- CAS
89-97-4- PubChem CID
- 66648
- DTXSID
DTXSID3059002- ChEMBL
CHEMBL12712- UNII
- L790J4Y7A3
- EC Number
- 201-955-8
- Nikkaji
- J9D
Properties
Computed structural properties
- XLogP
- 1.4
- 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
Physical Description
2-chlorobenzylamine appears as a colorless liquid with a slight amine odor. Somewhat soluble in water. Denser than water. Vapors are heavier than air. Inhalation of vapors may severely irritate mucous membranes and upper respiratory tract. May severely irritate and possible burn skin. Severe eye irritant. May cause permanent damage or temporary blindness.
Physicochemical properties
- Melting point
- 227 · 227-228 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 215 °C · 215 °C(lit.)
- Density
- 1.173 g/mL · 1.173 g/mL at 25 °C(lit.)
- vapor pressure
- 10.292 Pa · 10.292Pa at 25℃
- refractive index
- 20 · n20/D 1.562(lit.)
- Flash point
- 195 °F · 195 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 8.52 · 8.52±0.10(Predicted)
- form
- Liquid
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (41.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (41.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (93.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 102 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12260
2-Chlorobenzylamine: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:；Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2024)
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:；TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death. Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears). Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, 2-chloro-: ACTIVE
Applications
Uses2-Chlorobenzylamine is a chlorinated derivative of benzylamine. 2-Chlorobenzylamine showed plasmin inhibitory activity as well as inhibition of bovine thrombin activity.
General DescriptionA colorless liquid with a slight amine odor. Somewhat soluble in water. Denser than water. Flash point 192°F. Vapors are heavier than air. Inhalation of vapors may severely irritate mucous membranes and upper respiratory tract. May severely irritate and possible burn skin. Severe eye irritant. May cause permanent damage or temporary blindness.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
195 records
Compound notes
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