Phosphorodichloridous acid, 2-cyanoethyl ester

HCID 195897
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Basic information

CAS
76101-30-9
Standard SMILES
N#CCCOP(Cl)Cl
InChIKey
ZSJQVOIPLQDHCE-UHFFFAOYSA-N
Molecular formula
C3H4Cl2NOP
Average molar mass
171.95 g/mol
Monoisotopic mass
170.94075574

Overview

structure given in first source

Names & identifiers

Preferred name
Phosphorodichloridous acid, 2-cyanoethyl ester
IUPAC
3-dichlorophosphanyloxypropanenitrile
English name
2-Cyanoethyl phosphorodichloridite
Molecular formula
C3H4Cl2NOP
Molecular weight
171.95

Names & synonyms

76101-30-9beta-Cyanoethyl phosphorodichloriditeCEPDCDTXSID80226983Phosphorodichloridous acid, 2-(((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)amino)-, (SP-4-2)-RefChem:929189DTXCID10149474Phosphorodichloridous acid, 2-cyanoethyl ester2-Cyanoethyl Phosphorodichloridite3-dichlorophosphanyloxypropanenitrile2-cyanoethylphosphorodichloridite2-Cyanoethyl dichlorophosphite
Show more names
2-CYANOETHYL ESTERPHOSPHORODICHLORIDOUS ACID(2-CYANOETHOXY)DICHLOROPHOSPHINE2-CYANOETHYL PHOSPHORODICHLORIDEBETA-CYANOETHYLPHOSPHORODICHLORIDITE
2-Cyanoethyl phosphorodichloridoite2-cyanoethyl dichlorophosphinitePhosphorodichloridousacid, 2-cyanoethyl esterC3H4Cl2NOP2-Cyanoethoxydichlorophosphine2-Cyanoethyldichlorophosphitebeta-cyanoethoxydichlorophosphineSCHEMBL4945264

Database identifiers

CAS
76101-30-9
PubChem CID
195897
DTXSID
DTXSID80226983
Nikkaji
J2.258.191K

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
8

Physicochemical properties

Boiling point
68 · 68-72°C 0,2mm
Density
1.3919 g/cm3 · 1.3919 g/cm3
storage temp.
0 °C · Store at -0°C (dessicated).
solubility
soluble in Chloroform
form
Oil
color
Clear Colorless

Safety & regulation

Safety data

hs_code
2835299000
hazard_code
T
hazard_note
Toxic

Chemistry & industry

Applications

UsesA protecting reagent in DNA synthesis. Also a phosphorylating agent

Upstream & downstream products

Suppliers15 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]

Related reactions

33 records
New reaction record

Compound notes

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