Benzenemethanamine, 3,4-dichloro-
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Basic information
- CAS
102-49-8- Standard SMILES
NCc1ccc(Cl)c(Cl)c1- InChIKey
IXHNFOOSLAWRBQ-UHFFFAOYSA-N- Molecular formula
- C7H7Cl2N
- Average molar mass
- 176.04 g/mol
- Monoisotopic mass
- 174.99555458
Names & identifiers
- Preferred name
- Benzenemethanamine, 3,4-dichloro-
- IUPAC
- (3,4-dichlorophenyl)methanamine
- English name
- 3,4-Dichlorobenzylamine
- Molecular formula
- C7H7Cl2N
- Molecular weight
- 176.04
Names & synonyms
3,4-DichlorobenzylamineBenzenemethanamine, 3,4-dichloro-Benzylamine, 3,4-dichloro-EINECS 203-035-1NSC 25065RefChem:563259Benzylamine, 3,4-dichloro-(8CI)203-035-1102-49-8(3,4-Dichlorophenyl)methanamine1-(3,4-dichlorophenyl)methanamineMFCD00008114
Show more names
RARECHEM AL BW 03523,4-DichlorobenzylamOlanexidine Impurity 93,4-Dichlorobenzylamine>benzylamine, 3,4-dichloro-3,4-DICHLOROBENZYLAMINE 98%3,4-Dichlorobenzylamine,98%3,4-dichloro-benzenemethanamin
3,4-Dichloro-benzylamine(3,4-dichlorophenyl)methylamine(3,4-Dichlorophenyl)methanamine;(3,4-Dichlorophenyl)methanamine3,4-dichlorobenzenemethanamineNSC250653,4-dichlorobezylamine3,4 dichlorobenzylamine3,4 dichloro-benzylamine
Database identifiers
- CAS
102-49-8- PubChem CID
- 1608
- DTXSID
DTXSID9059254- ChEMBL
CHEMBL276152- EC Number
- 203-035-1
- Nikkaji
- J149.837A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 332 · 332-333 °C(Solv: N,N-dimethylformamide (68-12-2))
- Boiling point
- 80 · 80-82 °C (0.6 mmHg)
- Density
- 1.32 g/mL · 1.32 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.578(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 8.56 · 8.56±0.10(Predicted)
- form
- Liquid
- Specific Gravity
- 1.322 · 1.322
- color
- Clear colorless to light yellow
- Sensitive
- Air Sensitive
- BRN
- 508818 · 508818
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 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 3
- hs_code
- 29214990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant/Air Sensitive
- safety_code
- 23-26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, 3,4-dichloro-: ACTIVE
Applications
Uses3,4-Dichlorobenzylamine is a benzylamine compound. Benzylamines are a class of small-molecule compounds with simple structures, widely present in the biological world, with extremely important physiological and pharmacological activities, and are widely used in the research and development of antibacterial drugs. For example, the antifungal drugs terbinafine and butenafine all have the structure of benzylamine.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
379 records
Compound notes
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