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Benzamide, 2,4-dichloro-N-(4-chlorophenyl)- structure
Benzamide, 2,4-dichloro-N-(4-chlorophenyl)- structure

Benzamide, 2,4-dichloro-N-(4-chlorophenyl)-

Iupac Name:bis(2-ethylhexyl) benzene-1,2-dicarboxylate
CAS No.:117-81-7
Molecular Weight:390.55612
1. Names and Identifiers
1.1 Name
Benzamide, 2,4-dichloro-N-(4-chlorophenyl)-
1.2 Synonyms

(2,4-dichlorophenyl)-N-(4-chlorophenyl)carboxamide 2,4,4'-TRICHLOROBENZANILIDE 2,4-dichloro-n-(4-chlorophenyl)benzamide 2,4-dichloro-n-(4-chloro-phenyl)-benzamide 2,4-dichloro-n-(4-chlorophenyl)benzenecarboxamide 2448-00-2 3G-439S AC1L86F1 AK250809 AKOS000489191 ARONIS022816 BAS 00204317 Benzamide, 2,4-dichloro-N-(4-chlorophenyl)- Benzanilide, 2,4,4'-trichloro- (7CI,8CI) CTK1A7917 DTXSID10324027 KB-92720 KS-000035IE MCULE-3644812519 MOLPORT-001-011-746 NSC 405510 nsc405510 OR247077 ST055197 STK099555 ZINC38885

1.3 CAS No.
117-81-7
1.4 CID
8343
1.5 Molecular Formula
C7H8BRN (isomer)
1.6 Inchi
InChI=1/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
1.7 InChkey
BJQHLKABXJIVAM-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
1.9 Isomers Smiles
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
2. Properties
2.1 Density
1.355
2.2 Melting Point
-50℃
2.3 Boiling Point
105-9°C/0.3mmHg
2.4 Vapour
1.32 mm Hg at 392 ° F (NTP, 1992)
2.5 Refractive Index
Index of refraction: 1.4853 at 20 deg C/D
2.6 Flash Point
201.7°C
3. Safety and Handling
3.1 Risk Statements
R60;R61
3.2 Safety Statements
S45;S53
3.3 HazardClass
9
3.3 PackingGroup
III
3.4 Transport
UN 1230 3/PG 2
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360FD

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:390.55612g/mol
  • Molecular Formula:C7H8BRN
  • XLogP3-AA:7.4
  • Exact Mass:390.27701
  • Monoisotopic Mass:390.27701
  • Complexity:394
  • Rotatable Bond Count:16
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
7. Question & Answer
  • Di-2-ethylhexyl phthalate (DEHP) is the most common member of the class of phthalates, which are used as plasticizers in polymer products to make plastic flexible. DEHP is also called bis(2-ethylhexyl) phthalate or dioctyl phthalate (DOP). This colorless viscous and lipophilic liquid is more solubl...
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