2,2'-Biphenyldiamine
Basic information
- CAS
1454-80-4- Standard SMILES
Nc1ccccc1-c1ccccc1N- InChIKey
HOLGXWDGCVTMTB-UHFFFAOYSA-N- Molecular formula
- C12H12N2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.10004839
Names & identifiers
- Preferred name
- 2,2'-Biphenyldiamine
- IUPAC
- 2-(2-aminophenyl)aniline
- English name
- 2,2'-BIPHENYLDIAMINE
- Molecular formula
- C12H12N2
- Molecular weight
- 184.24
Names & synonyms
2,2'-BIPHENYLDIAMINE[1,1'-Biphenyl]-2,2'-diamine2,2'-Diaminobiphenylo-Benzidineo,o'-Diaminobiphenyl2,2'-Diaminodiphenyl0DJ0J26MNW(1,1'-Biphenyl)-2,2'-diamineBRN 1949579UNII-0DJ0J26MNWNSC 99367DTXSID00163003
Show more names
AKOS BBS-00004371TIMTEC-BB SBB008458o,o’-diaminobiphenyl2,2’-diaminodiphenylbiphenyl-2,2'-diamine
NSC-993674-13-00-00356 (Beilstein Handbook Reference)2,2'-diamino-1,1'-biphenylRefChem:80685DTXCID6085494(1,1'-Biphenyl)-2,2'-diamine (9CI)685-728-2HOLGXWDGCVTMTB-UHFFFAOYSA-N
Database identifiers
- CAS
1454-80-4- PubChem CID
- 15075
- DTXSID
DTXSID00163003- ChEMBL
CHEMBL1384563- UNII
- 0DJ0J26MNW
- EC Number
- 685-728-2
- Nikkaji
- J7.495K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
LogP1.34
Physicochemical properties
- Melting point
- 76 to · 76.0 to 80.0 °C
- Boiling point
- 151 °C/3mmHg · 151°C/3mmHg(lit.)
- Density
- 1.309 · 1.3090
- refractive index
- 1.6266 · 1.6266 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 3.7 · 3.70±0.10(Predicted)
- color
- White to Brown
- λmax
- 294 nm · 294nm(EtOH)(lit.)
- BRN
- 1949579 · 1949579
- InChI
- InChI=1S/C12H12N2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,13-14H2
- InChIKey
- HOLGXWDGCVTMTB-UHFFFAOYSA-N
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
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- wgk
- 3
- rtecs
- DV2099000
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 2921599090
- risk_code
- 22-41-50
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 26-39-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318-H400
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1
- Precautionary statements
- P273-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,2''-Biphenyldiamine is a good starting material in the synthesis of carbazole and carbazole derivatives.
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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