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Home> Hot Product Listed P   > Phosphorodiamidic acid,N,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester (8CI)
81110-73-8 structure

Phosphorodiamidic acid,N,N-bis(2-chloroethyl)-N'-ethyl-, benzyl ester (8CI)

Iupac Name:benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
CAS No.:81110-73-8
Molecular Weight:385.478
Molecular Formula:C7H14N2 (isomer)
Names and Identifiers
Synonyms

2-chloro-n-(2-chloroethyl)-n-[ethylamino(phenylmethoxy)phosphoryl]ethanamine AC1L5O3H AC1Q3V3T benzyl n,n-bis(2-chloroethyl)-n'-ethylphosphorodiamidate NSC 76339 nsc76339 nsc-76339 phosphorodiamidic acid,n-bis(2-chloroethyl)-n'-ethyl-, benzyl ester

Inchi
InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)
InChkey
ODUOJXZPIYUATO-UHFFFAOYSA-N
Canonical Smiles
CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
Properties
Density
1.158
Melting Point
89℃
Refractive Index
1.601
Safety and Handling
Hazard Note
H302; H400
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:385.478g/mol
  • Molecular Formula:C7H14N2
  • Compound Is Canonicalized:True
  • Exact Mass:385.135
  • Monoisotopic Mass:385.135
  • Complexity:485
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:97.8A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6OABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgQQAAAADQDl2AayCILABAiI AiHSGAACAAAgABAIiIGICIgKJjKgsTiHMAAk1gG4qAeYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-717-4128488
  • Fax:86-0717-4460150
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-531-88110457
  • Fax:86-531-88113608
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
 
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