Structure of 3-Nitrophthalonitrile CAS 51762-67-5

Iden­ti­fi­ca­tion

CAS Number

51762-67-5

Name

3-Nitroph­thaloni­trile

Syn­onyms

1,2-Benzenedicarbonitrile, 3-nitro- [ACD/​Index Name]
2263686 [Beil­stein]
3-Nitro-1,2-benzenedicarbonitrile
3-Nitrobenzene-1,2-dicarbonitrile [ACD/IUPAC Name]
3-Nitroph­­taloni­trile [French] [ACD/IUPAC Name]
3-Nitroph­thalo­­dini­trile
3-Nitroph­thaloni­tril [Ger­man] [ACD/IUPAC Name]
3-Nitroph­thaloni­trile [ACD/IUPAC Name]
51762-67-5 [RN]
610-727-0 [EINECS]
WNR BCN CCN [WLN]
1,2-Dicyano-3-nitrobenzene
2,3-Dicyanonitrobenzene
98%
BR-47565
CZ1953200 [RTECS]
F0017-1930
MFCD00191558 [MDL num­ber]
OR-0559
PS-5048
ST50405568

SMILES

c1cc(c(c(c1)[N+](=O)[O-])C#N)C#N

Std­InChI

InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H

Std­InChIKey

UZJZ­IZFC­QFZDHP-UHF­F­­FAOYSA-N

Mol­e­c­u­lar Formula

C8H3N3O2

Mol­e­c­u­lar Weight

173.128

EINECS

610-727-0

Beil­stein Reg­istry Number

2263686

MDL Number

MFCD00191558

Prop­er­ties

Appear­ance

Off-white pow­der

Melt­ing Point

162~165°C

Safe­ty Data

Sym­bol

exclamation-mark-jpgGHS07

Sig­nal Word

Warn­ing

Haz­ard statements

H302H315H319H335

Pre­cau­tion­ary Statements

P261P264P270P301 + P312P302 + P352P305 + P351P338

Per­son­al Pro­tec­tive Equipment

dust mask type N95 (US), Eye­shields, Gloves

RIDADR 

NONH for all modes of transport

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our 3-Nitroph­thaloni­trile CAS 51762-67-5

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Puri­ty

99% min

Sol­u­bil­i­ty (3% Dichloromethane)

Clear, No black spots, No obvi­ous sus­pend­ed matter

Shelf Life

2 years

Stor­age

Under room tem­per­a­ture away from light

Known Appli­ca­tion

This prod­uct is a key inter­me­di­ate for the syn­the­sis of nitroph­thalo­cya­nine, nitrometal­lic phthalo­cya­nine or oth­er phthalo­cya­nine derivatives.

This prod­uct is devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Ltd (https://​www​.cam​ing​.com/).

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