4-(Azidomethyl)benzonitrile

HCID 11073691CAS 84466-87-5
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(CN=[N+]=[N-])cc1
InChIKey
GWVIVHINAVAKKV-UHFFFAOYSA-N
Molecular formula
C8H6N4
Average molar mass
158.16 g/mol
Monoisotopic mass
158.05924619

Names & identifiers

Preferred name
4-(Azidomethyl)benzonitrile
IUPAC
4-(azidomethyl)benzonitrile
English name
4-Cyanobenzyl azide solution
Molecular formula
C8H6N4
Molecular weight
158.16

Names & synonyms

4-(azidomethyl)benzonitrile84466-87-5DTXSID70454177RefChem:288490DTXCID30404996Benzonitrile, 4-(azidomethyl)-4-cyanobenzyl azide4-Azidomethylbenzonitrilealpha-azido-4-cyanotoluene4-(azidomethyl)-benzonitrileSCHEMBL14270233GWVIVHINAVAKKV-UHFFFAOYSA-N
Show more names
4-(azidomethy)benzonitrile4-Cyanobenzyl azide solutionα-Azido-4-cyanotoluene solution4-(Azidomethyl)benzonitrile solution
ALBB-027612MFCD14652229AKOS010630459LS-09545H43603

Database identifiers

CAS
84466-87-5
PubChem CID
11073691
DTXSID
DTXSID70454177
Nikkaji
J2.909.825E

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
38.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Flash point
-30 ℃ · -30℃
storage temp.
2 · 2-8°C
form
liquid
BRN
4978502 · 4978502
InChI
1S/C8H6N4/c9-5-7-1-3-8(4-2-7)6-11-12-10/h1-4H,6H2
InChIKey
GWVIVHINAVAKKV-UHFFFAOYSA-N

Safety & regulation

Safety data

wgk
3
ridadr
UN 2398 3 / PGII
risk_code
11-38
Signal word
Danger
Symbol(GHS)
GHS02,GHS07
hazard_code
F,Xi

Chemistry & industry

Suppliers5 total

安庆融创生物科技有限公司15001988657 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]

Related reactions

31 records
New reaction record

Linked notes

Loading…