Basic information
- CAS
1135-12-2- Standard SMILES
Nc1ccc(Cc2ccccc2)cc1- InChIKey
WDTRNCFZFQIWLM-UHFFFAOYSA-N- Molecular formula
- C13H13N
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.10479942
Names & identifiers
- Preferred name
- Benzenamine, 4-(phenylmethyl)-
- IUPAC
- 4-benzylaniline
- English name
- 4-BENZYLANILINE
- Molecular formula
- C13H13N
- Molecular weight
- 183.25
Names & synonyms
1135-12-24-AminodiphenylmethaneBenzenamine, 4-(phenylmethyl)-DTXSID50150423RefChem:561868DTXCID2072914672-757-04-Benzylaniline4-benzylbenzenamineMFCD000478614-(phenylmethyl)aniline4-Benzylaniline, 97%
Show more names
4-Benzylaniline 98%TIMTEC-BB SBB010088P-AMINODIPHENYL METHANE4-Aminodiphenylmethane >4-AMINODIPHENYLMETHANE 95+%BenzenaMine,4-(phenylMethyl)-
SCHEMBL202238HMS1675O074-benzylphenylamine4-Benzyl-phenylamineTS-02558Z10699802544-BENZYLANILINE, HCLp-benzylaniline
Database identifiers
- CAS
1135-12-2- PubChem CID
- 136914
- DTXSID
DTXSID50150423- EC Number
- 672-757-0
- Nikkaji
- J533.996K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 35 · 35-38 °C(lit.)
- Boiling point
- 142 · 142-144°C 1mm
- Density
- 1.038 · 1.0380
- refractive index
- 1.6118 · 1.6118 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to lump to clear liquid
- pka
- 2.17 · 2.17(at 25℃)
- color
- White or colorless to Amber to Dark green
- BRN
- 2208463 · 2208463
- InChI
- InChI=1S/C13H13N/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10,14H2
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
Warning
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 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 CategoriesAcute Tox. 4 (12.5%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2921490090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H302+H312+H332-H315-H319
- Precautionary statements
- P280a-P304+P340-P305+P351+P338-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
Uses4-Benzylaniline (4-Aminodiphenylmethane) can be used to synthesize:2-amino-6-benzylbenzothiazole (SKA-7)ethyl 2-((4-benzylphenylamino)methylen)-malonatebis(4-benzylphenyl)-urea3:5-dibromo-4-aminodiphenylmethane via treatment with bromine solution3:5-di-iodo-4-aminodiphenylmethane via iodination reaction by using a suitable iodinating reagent[sodium iodate + potassium iodide]
General Description4-Benzylaniline (4-BA) undergoes hydrochlorination in the presence of HCl to yield 4-benzylaniline hydrochloride. Crystals of 4-BA exhibit monoclinic crystal system and space group P21/c.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers82 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
30 records
Compound notes
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