CAS 1953-99-7 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro- (HCID 16057)

Names & identifiers

Preferred name: 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-
IUPAC: 3,4,5,6-tetrachlorobenzene-1,2-dicarbonitrile
English name: 3,4,5,6-Tetrachlorophthalonitrile
Molecular formula: C8Cl4N2
Molecular weight: 265.91

Names & synonyms

Tetrachlorophthalonitrile1953-99-73,4,5,6-Tetrachlorobenzene-1,2-dicarbonitrile3,4,5,6-Tetrachlorophthalonitrileo-TCPNo-Tetrachlorophthalodinitrileo-PHTHALODINITRILE, TETRACHLORO-3,4,5,6-Tetrachloro-1,2-benzenedicarbonitrile1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-GG84DM2R55EINECS 217-783-1BRN 1882303

Show more names

Z-CHLOROTHALONILPerchlorophthalonitrile6-TetrachlorophthalonitrileTetrachloro-o-phthalonitrile

DTXSID20173189RefChem:411088DTXCID90956801,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-(9CI)Phthalonitrile, tetrachloro-Benzenedicarbonitrile, tetrachloro-MFCD00019740Tetrachlorophthalodinitrile

Database identifiers

CAS: 1953-99-7
PubChem CID: 16057
DTXSID: DTXSID20173189
UNII: GG84DM2R55
EC Number: 217-783-1
Nikkaji: J35.440F

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 282

Physicochemical properties

Melting point: 249 · 249-252 °C (dec.)(lit.)
Boiling point: 350 °C · 350°C (rough estimate)
Density: 1.7395 · 1.7395 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Almost white
CAS DataBase Reference: 1953 · 1953-99-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 84 DM2R55 · GG84DM2R55
NIST Chemistry Reference: 1 · 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-(1953-99-7)
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 312 · H312+H332
Precautionary statements: 261 · P261-P271-P280-P302+P352+P312-P304+P340+P312-P362+P364
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36
RIDADR: 3077 · UN 3077 9/PG III
WGK Germany: 3 · 3
RTECS: 8225000 · TI8225000
HS Code: 2926.9 · 2926.90.4801
HazardClass: 9 · 9
PackingGroup: III
Toxicity: 50 · mouse,LD50,intraperitoneal,66mg/kg (66mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Industrial Health. Vol. 4, Pg. 11, 1966.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Safety data

wgk: 3
rtecs: TI8225000
ridadr: UN 3077 9/PG III
hs_code: 2926.90.4801
Toxicity: mouse,LD50,intraperitoneal,66mg/kg (66mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Industrial Health. Vol. 4, Pg. 11, 1966.
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36
hazard_class: 9
packing_group: III
Hazard statements: H312+H332
Precautionary statements: P261-P271-P280-P302+P352+P312-P304+P340+P312-P362+P364

Chemistry & industry

Applications · 1 item

Uses3,4,5,6-Tetrachlorophthalonitrile can be used as a reagent in chemical reactions or as an intermediate in organic synthesis. 3,4,5,6-Tetrachlorophthalonitrile and 3,4,5,6-Tetrachlorophthalonitrile can be used as substrates with various phenoxy compounds in nucleophilic aromatic substitution reactions to prepare 3,4,6-trihalo-5-p-substituted phenoxyphthalonitrile containing four substituents other than hydrogen[1].