CID 37314

HCID 37314

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 35948-25-5
Standard SMILES: O=[PH]1Oc2ccccc2-c2ccccc21
InChIKey: VBQRUYIOTHNGOP-UHFFFAOYSA-N
Molecular formula: C12H9O2P
Average molar mass: 216.17 g/mol
Monoisotopic mass: 216.03401652

Names & identifiers

Preferred name: CID 37314
IUPAC: benzo[c][2,1]benzoxaphosphinine 6-oxide
English name: 9,10-Dihydro-9-oxa-10-phosphaphenanthrene 10-oxide
Molecular formula: C12H9O2P
Molecular weight: 216.17

Names & synonyms

DOPDOPOFR-DOPOPD-37109,10-Dihydro-9-oxaFlame Retardant DOPODOPO Flame Retardant10H-9-Oxa-10-phosphaphenanthrene 10-oxide10-Dihydro-9-oxa-10-phosphaphenanthrene-10-oxideDOPO, 99.5%

Database identifiers

CAS: 35948-25-5
PubChem CID: 37314
DTXSID: DTXSID6044563
Nikkaji: J52.350J

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 266

Physicochemical properties

Melting point: 119 °C · 119°C
Boiling point: 399.7 · 399.7±25.0 °C(Predicted)
vapor pressure: 0.004 Pa · 0.004Pa at 25℃
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
Water Solubility: 3.574 g/L · 3.574g/L at 25℃
InChI: InChI=1S/C12H9O2P/c13-15-12-8-4-2-6-10(12)9-5-1-3-7-11(9)14-15/h1-8,15H
InChIKey: VBQRUYIOTHNGOP-UHFFFAOYSA-N
SMILES: O1C2=CC=CC=C2C2=CC=CC=C2P1=O
LogP: 1.87 · 1.87
CAS DataBase Reference: 35948 · 35948-25-5(CAS DataBase Reference)
FDA UNII: 63 LTW1C2TR · 63LTW1C2TR
EPA Substance Registry System: 6 H-Dibenz[c,e][1,2]oxaphosphorin, · 6H-Dibenz[c,e][1,2]oxaphosphorin, 6-oxide (35948-25-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HS Code: 2934999090 · 2934999090
REACH Registrations: Active

Safety & regulation

Safety data

tsca: TSCA listed
hs_code: 2934999090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313