Phosphorodichloridic acid, 4-nitrophenyl ester

HCID 69898CAS 777-52-6
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(OP(=O)(Cl)Cl)cc1
InChIKey
NCPBESHYZRJICR-UHFFFAOYSA-N
Molecular formula
C6H4Cl2NO4P
Average molar mass
255.98 g/mol
Monoisotopic mass
254.9255

Names & identifiers

Preferred name
Phosphorodichloridic acid, 4-nitrophenyl ester
IUPAC
1-dichlorophosphoryloxy-4-nitrobenzene
English name
4-Nitrophenyl phosphorodichloridate
Molecular formula
C6H4Cl2NO4P
Molecular weight
255.98

Names & synonyms

4-Nitrophenyl phosphorodichloridate777-52-6Phosphorodichloridic acid, 4-nitrophenyl esterp-Nitrophenyl phosphorodichloridateEINECS 212-289-2DTXSID80611314-Nitrophenylphosponic dichlorideRefChem:173862DTXCID2047987NCPBESHYZRJICR-UHFFFAOYSA-NC6H4Cl2NO4P1-dichlorophosphoryloxy-4-nitrobenzene
Show more names
phosphorodichLp-Nitrophenyl dichlorophosphate4-nitrophenyl dichlorophosphonate4-Nitrophenylphosphonicdichloride4-Nitrophenyl phosphoryldichlorideDichloridophosphoric Acid P-Nitrop4-Nitrophenylphosphorodichloridate,97%
4-Nitrophenyl dichlorophosphateMFCD000073151-dichlorophosphoryloxy-4-nitro-benzenePhosphorodichloridic acid, p-nitrophenyl esterSCHEMBL8514314-O2NC6H4OP(O)Cl242G6E3UCT84-Nitrophenyl dichloridophosphate #

Database identifiers

CAS
777-52-6
PubChem CID
69898
DTXSID
DTXSID8061131
UNII
42G6E3UCT8
EC Number
212-289-2
Nikkaji
J102C

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
44 · 44-45 °C (lit.)
Boiling point
182 · 182-183 °C/13 mmHg (lit.)
Density
1.644 · 1.644
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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 InformationPhosphorodichloridic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (97.4%)

Regulatory information

Regulatory InformationPhosphorodichloridic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
10-21
PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
risk_code
34

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhosphorodichloridic acid, 4-nitrophenyl ester: ACTIVE

Applications

Uses4-Nitrophenyl phosphorodichloridate was used to phosphorylate the derivatized resin.

Upstream & downstream products

Suppliers50 total

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

7 records
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Linked notes

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