Basic information
- CAS
111082-23-6- Standard SMILES
Cl.N=C(N)c1ccc(-c2ccccc2)cc1- InChIKey
WIYQWPDKLHFVLY-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2
- Average molar mass
- 232.71 g/mol
- Monoisotopic mass
- 232.0767261
Names & identifiers
- Preferred name
- 4-Phenylbenzene-1-carboximidamide hydrochloride
- IUPAC
- 4-phenylbenzenecarboximidamide;hydrochloride
- English name
- Biphenyl-4-carboxamidine hydrochloride
- Molecular formula
- C13H13ClN2
- Molecular weight
- 232.71
Names & synonyms
4-phenylbenzene-1-carboximidamide hydrochlorideRefChem:526400850-288-4111082-23-6[1,1'-Biphenyl]-4-carboximidamide hydrochlorideBIPHENYL-4-CARBOXAMIDINE HYDROCHLORIDE4-phenylbenzenecarboximidamide;hydrochlorideMFCD041144554-Phenylbenzamidine HydrochlorideBiphenyl-4-carboxamidineHydrochlorideorb3022847SCHEMBL6029673
Show more names
[1,1’-Biphenyl]-4-Formamidine ChlorideBiphenyl -4- formamidine monohydrochloride4-phenylbenzenecarboximidamide hydrochloride1,1'-Biphenyl]-4-carboximidamide hydrochloride[1,1'-Biphenyl]-4-carboximidamide monohydrochloride
4-phenylbenzamidine;hydrochlorideDTXSID60560251TPL01534-Biphenylcarboximidamide HydrochlorideAKOS008122127AB18377DS-7789SY111073
Database identifiers
- CAS
111082-23-6- PubChem CID
- 14436799
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- White to off-white Powder
- InChI
- InChI=1S/C13H12N2.ClH/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H3,14,15);1H
- InChIKey
- WIYQWPDKLHFVLY-UHFFFAOYSA-N
- SMILES
- C(N)(=N)C1C=CC(=CC=1)C1C=CC=CC=1.Cl
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Phenylbenzamidine hydrochloride is an amine derivative, which can be used as a pharmaceutical intermediate for pharmaceutical synthesis and pharmaceutical experimental research.
Suppliers33 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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