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Home> Hot Product Listed B   > BAS 00188805
151096-09-2 structure

BAS 00188805

CAS No.:151096-09-2
Molecular Weight:401.431363
Molecular Formula:C19H22N2O2 (isomer)
Names and Identifiers
Synonyms

{4-[1-(4-amino-3-nitrophenyl)-2,2-dichlorovinyl]-2-nitrophenyl}amine 3858AD 4,4'-(2,2-dichloroethene-1,1-diyl)bis(2-nitroaniline) 4-[1-(4-amino-3-nitro-phenyl)-2,2-dichloro-ethenyl]-2-nitro-aniline 4-[1-(4-amino-3-nitrophenyl)-2,2-dichloroethenyl]-2-nitroaniline 4-[1-(4-amino-3-nitro-phenyl)-2,2-dichloro-vinyl]-2-nitro-aniline 4-[1-(4-amino-3-nitrophenyl)-2,2-dichlorovinyl]-2-nitroaniline AC1MJMF6 AK470510 AKOS000321458 ALBB-008726 BG01082291 c14h10cl2n4o4 CTK6G5171 mfcd00233310 OR173594 R2711 STK505528 TR-060746 ZINC5003784 zx-an007626

Inchi
InChI=1/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
Canonical Smiles
COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
Isomers Smiles
COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
Properties
Melting Point
203-208 oC
Vapour
4.56E-17mmHg at 25°C
Refractive Index
1.633
Alpha
23D -193°
Safety and Handling
Risk Statements
R22
Safety Statements
36/37
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 151096-09-2 EC: BAS 00188805 ·ECHA C&L Inventory for CAS: CAS: 151096-09-2 EC: BAS 00188805
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

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:401.431363g/mol
  • Molecular Formula:C19H22N2O2
  • Exact Mass:401.175084
  • Monoisotopic Mass:401.175084
  • Complexity:727
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:82.1
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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  • Fax:86-21-51685790
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  • Fax:86-571-86821328
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