Phosphoramidic acid, phenyl-, diethyl ester

HCID 15049
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Basic information

CAS
1445-38-1
Standard SMILES
CCOP(=O)(Nc1ccccc1)OCC
InChIKey
GESBKELMKMNZLZ-UHFFFAOYSA-N
Molecular formula
C10H16NO3P
Average molar mass
229.21 g/mol
Monoisotopic mass
229.08678

Names & identifiers

Preferred name
Phosphoramidic acid, phenyl-, diethyl ester
IUPAC
N-diethoxyphosphorylaniline
English name
Diethyl anilinophosphonate
Molecular formula
C10H16NO3P
Molecular weight
229.21

Names & synonyms

1445-38-1Diethyl anilidophosphatePHOSPHORAMIDIC ACID, PHENYL-, DIETHYL ESTERPhenylphosphoramidic acid diethyl esterPhosphoramidic acid, N-phenyl-, diethyl esterBRN 2214364AI3-51248DTXSID60162734NSC 16105RefChem:862367DTXCID7085225635-703-7
Show more names
diethylanilidophosphateANILINO-DIETHYLPHOSPHONATEAnilinodiethylphosphonate 97%Diethyl phenylaminophosphonate
Diethyl anilinophosphonateN-diethoxyphosphorylanilinediethyl phenylphosphoramidateN-(diethoxyphosphoryl)anilineDiethyl phosphoroanilidateDiethyl phenylamidophosphateDiethyl N-phenylphosphoramidateMFCD00026758

Database identifiers

CAS
1445-38-1
PubChem CID
15049
DTXSID
DTXSID60162734
ChEMBL
CHEMBL1442834
EC Number
635-703-7
Nikkaji
J104.760D

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
15

Physicochemical properties

Melting point
91 · 91-94°C
Boiling point
65 · 65-66 °C(Press: 2.5 Torr)
Density
1.173 · 1.173±0.06 g/cm3(Predicted)
pka
0.25 · 0.25±0.38(Predicted)
CAS DataBase Reference
1445 · 1445-38-1(CAS DataBase Reference)
EWG's Food Scores
1 · 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H300
Precautionary statements
P264-P270-P301+P310-P321-P330-P405-P501

Chemistry & industry

Suppliers7 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

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Compound notes

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