Phosphorisocyanatidic dichloride

HCID 70090

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Basic information

CAS: 870-30-4
Standard SMILES: O=C=NP(=O)(Cl)Cl
InChIKey: QKPIQPBNFUNZSJ-UHFFFAOYSA-N
Molecular formula: CCl2NO2P
Average molar mass: 159.89 g/mol
Monoisotopic mass: 158.9043706

Names & identifiers

Preferred name: Phosphorisocyanatidic dichloride
IUPAC: dichlorophosphorylimino(oxo)methane
English name: Phosphoroisocyanatidic dichloride
Molecular formula: CCl2NO2P
Molecular weight: 159.9

Names & synonyms

Phosphorisocyanatidic dichloride870-30-4EINECS 212-794-8DTXSID80236047RefChem:173848DTXCID80158538212-794-8dichlorophosphorylimino(oxo)methanePHOSPHOROYL DICHLORIDE ISOCYANATEPhosphorisocyanatidicdichlorideR6XJ3VBW3Ldichlorophosphinyl isocyanate

Show more names

Isocyanatophosphoryl dichlorideDichlorophosphonylisocyanateIsocyanatophosphonic dichloridePhosphoryl dichloride isocyanatePhosphoric dichloride isocyanateIsocyanatodichlorophosphine oxide

dichlorophosphoryl isocyanateSCHEMBL5197619Dichloroisocyanatophosphine oxideIsocyanatophosphonic dichloride, 95%AKOS015958556NS00042579EN300-01224F9995-1801

Database identifiers

CAS: 870-30-4
PubChem CID: 70090
DTXSID: DTXSID80236047
UNII: R6XJ3VBW3L
EC Number: 212-794-8
Nikkaji: J195.143B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 144

Physicochemical properties

Boiling point: 20 · 20-24 °C(Press: 5 Torr)
Density: 1.623 g/mL · 1.623 g/mL at 25 °C
refractive index: 20 · n20/D1.468
Flash point: 71 ℃ · 71℃
form: liquid
InChI: 1S/CCl2NO2P/c2-7(3,6)4-1-5
InChIKey: QKPIQPBNFUNZSJ-UHFFFAOYSA-N
SMILES: ClP(Cl)(=O)N=C=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06,GHS08
Signal word: Danger
Hazard statements: 301 · H301-H314-H317-H334
Precautionary statements: 261 · P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes: T
Risk Statements: 25 · 25-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2922 · UN 2922 6.1(8) / PGII
WGK Germany: 3 · 3
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24331

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Skin Corr. 1B (100%)

Regulatory information

Regulatory InformationStatus: Cease Manufacture Update: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24331

Safety data

wgk: 3
ridadr: UN 2922 6.1(8) / PGII
risk_code: 25-34
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS08
hazard_code: T
safety_code: 26-36/37/39-45
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard statements: H301-H314-H317-H334
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
Precautionary statements: P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338