3,3'-diaminobenzidine

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Names

[ CAS No. ]:
91-95-2

[ Name ]:
3,3'-diaminobenzidine

[Synonym ]:
EINECS 202-110-6
[1,1'-Biphenyl]-3,3',4,4'-tetramine
Biphenyl-3,3',4,4'-tetramine
MFCD00007725
3,3',4,4'-Biphenyltetramine
4-(3,4-diaminophenyl)benzene-1,2-diamine
(1,1'-Biphenyl)-3,3',4,4'-tetramine
3,3'-diaminobenzidine

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
481.7±45.0 °C at 760 mmHg

[ Melting Point ]:
175-177 °C(lit.)

[ Molecular Formula ]:
C12H14N4

[ Molecular Weight ]:
214.266

[ Flash Point ]:
282.7±25.6 °C

[ Exact Mass ]:
214.121841

[ PSA ]:
104.08000

[ LogP ]:
-0.76

[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C

[ Index of Refraction ]:
1.766

[ Stability ]:
Stability Moisture and light sensitive. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
0.55 g/L (20 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DV8750000
CHEMICAL NAME :
3,3'4,4'-Biphenyltetramine
CAS REGISTRY NUMBER :
91-95-2
BEILSTEIN REFERENCE NO. :
1212988
LAST UPDATED :
199712
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C12-H14-N4
MOLECULAR WEIGHT :
214.30
WISWESSER LINE NOTATION :
ZR BZ DR CZ DZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1834 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9000 mg/kg/27D-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
Mutation test systems - not otherwise specified

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 319,19,1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5448 No. of Facilities: 38 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 135 (estimated) No. of Female Employees: 95 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H319-H341-H350

[ Precautionary Statements ]:
P201-P280-P301 + P312 + P330-P305 + P351 + P338-P308 + P313-P337 + P313

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38;R40

[ Safety Phrases ]:
S26-S36/37-S45-S36/37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
DV8750000

[ HS Code ]:
2921590090

Synthetic Route

Precursor & DownStream

Precursor

  • 3,3'-Dinitrobenzidine
  • 2-Benzoylacetamidine
  • N,N'-DIACETYLBENZIDINE
  • Acetanilide
  • N-(4-(4-acetamido-3-nitrophenyl)-2-nitrophenyl)acetamide
  • 2-Nitroaniline
  • 4-Iodo-2-nitroaniline
  • o-Phenylenediamine
  • Hydrochloric acid

DownStream

  • 6-[2,3-bis(4-bromophenyl)quinoxalin-6-yl]-2,3-bis(4-bromophenyl)quinoxaline
  • 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline
  • 4-[5-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
  • 4-[2-(1H-benzimidazol-2-yl)-3H-benzimidazol-5-yl]benzene-1,2-diamine
  • 1H,1'H,1''H,1'''H-2,2':5',5'':2'',2'''-quaterbenzo[d]imidazole

Customs

[ HS Code ]: 2921590090

[ Summary ]:
2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Related Compounds

  • 3,3'-Diaminobenzidine tetrahydrochloride hydrate
  • 3,3'-Diaminobenzidine tetrahydrochloride hydrate
  • 3,3',4,4'-Biphenyltetramine tetrahydrochloride
  • 3,3'-diacetoxy-[7,7']bi[ergostatrien-(5,8,22)-yl]
  • 3,3'-DICHLORO-5-FLUOROBENZOPHENONE
  • 3,3'-(2-oxo-cyclohexylidene)-di-propionic acid diethyl ester