3,4-Diaminobenzonitrile

Modify Date: 2025-08-25 10:44:42

3,4-Diaminobenzonitrile Structure
3,4-Diaminobenzonitrile structure
Common Name 3,4-Diaminobenzonitrile
CAS Number 17626-40-3 Molecular Weight 133.151
Density 1.2±0.1 g/cm3 Boiling Point 368.7±27.0 °C at 760 mmHg
Molecular Formula C7H7N3 Melting Point 144-148 °C
MSDS Chinese USA Flash Point 176.8±23.7 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3,4-Diaminobenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 368.7±27.0 °C at 760 mmHg
Melting Point 144-148 °C
Molecular Formula C7H7N3
Molecular Weight 133.151
Flash Point 176.8±23.7 °C
Exact Mass 133.063995
PSA 75.83000
LogP 0.89
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.640
InChIKey VWLLPPSBBHDXHK-UHFFFAOYSA-N
SMILES N#Cc1ccc(N)c(N)c1
Storage condition Amber Vial, -20?C Freezer
Stability Store in freezer at -20°C

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases S26-S36-S36/37
RIDADR 3276
WGK Germany 3
HS Code 2926909090

 Synthetic Route

~70%

3,4-Diaminobenzonitrile Structure

3,4-Diaminobenz...

CAS#:17626-40-3

Literature: Array Biopharma Inc. Patent: US6221914 B1, 2001 ; US 6221914 B1

~98%

3,4-Diaminobenzonitrile Structure

3,4-Diaminobenz...

CAS#:17626-40-3

Literature: Kelly, David P.; Bateman, Stuart A.; Hook, Robert J.; Martin, Roger F.; Reum, Monica E.; et al. Australian Journal of Chemistry, 1994 , vol. 47, # 9 p. 1751 - 1770

~%

3,4-Diaminobenzonitrile Structure

3,4-Diaminobenz...

CAS#:17626-40-3

Literature: US5514680 A1, ; US 5514680 A

~%

3,4-Diaminobenzonitrile Structure

3,4-Diaminobenz...

CAS#:17626-40-3

Literature: Journal of Medicinal Chemistry, , vol. 36, # 12 p. 1746 - 1753

~%

3,4-Diaminobenzonitrile Structure

3,4-Diaminobenz...

CAS#:17626-40-3

Literature: Journal of Medicinal Chemistry, , vol. 36, # 12 p. 1746 - 1753

~%

3,4-Diaminobenzonitrile Structure

3,4-Diaminobenz...

CAS#:17626-40-3

Literature: Journal of Medicinal Chemistry, , vol. 36, # 12 p. 1746 - 1753

~%

3,4-Diaminobenzonitrile Structure

3,4-Diaminobenz...

CAS#:17626-40-3

Literature: Chemische Berichte, , vol. 49, p. 2230

~%

3,4-Diaminobenzonitrile Structure

3,4-Diaminobenz...

CAS#:17626-40-3

Literature: Journal of the American Chemical Society, , vol. 34, p. 701

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

Benzonitrile, 3,4-diamino
3,4-diaminobenzenecarbonitrile
MFCD00723901
3,4-Diaminobenzonitrile
2-amino-4-cyanoaniline
4-cyano-1,2-phenylenediamine
1,2-diamino-4-cyanobenzene
4-cyano-o-phenylenediamine
3,4-diamino-benzonitrile
Benzonitrile, 3,4-diamino-
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