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Home> Hot Product Listed 1   > [1,1'-Biphenyl]-2-carboxylicacid, 2'-[(9H-fluoren-2-ylamino)carbonyl]-4,4'-dinitro-
37595-74-7 structure

[1,1'-Biphenyl]-2-carboxylicacid, 2'-[(9H-fluoren-2-ylamino)carbonyl]-4,4'-dinitro-

Iupac Name:1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CAS No.:37595-74-7
Molecular Weight:357.241
Molecular Formula:C5H6N2 (isomer)
Names and Identifiers
Synonyms

2'-[(9h-fluoren-2-yl)carbamoyl]-4,4'-dinitro-[1,1'-biphenyl]-2-carboxylic acid 2'-[(9h-fluoren-2-yl)carbamoyl]-4,4'-dinitro[1,1'-biphenyl]-2-carboxylic acid 2-[2-(9h-fluoren-2-ylcarbamoyl)-4-nitrophenyl]-5-nitrobenzoic acid AC1L9KUD bdbm50189880 CHEMBL3828454 CTK1A7947 Diphenamic acid, N-fluoren-2-yl-4,4'-dinitro- (8CI) DTXSID20329563 nsc132241 nsc-132241 PL036964 ZINC1719573

Inchi
InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H
InChkey
DIOHEXPTUTVCNX-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
Properties
Melting Point
100-102℃
Refractive Index
1.488
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Industriale Chimica s.r.l. 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

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.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:357.241g/mol
  • Molecular Formula:C5H6N2
  • Compound Is Canonicalized:True
  • Exact Mass:356.956
  • Monoisotopic Mass:356.956
  • Complexity:518
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:11
  • Topological Polar Surface Area:88.3A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYByOcBgAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQQAQAAACAiBEBAwwIAAAAKA ACRCQHCCAAAgAgAIiAAAZIgIICKAkZGAIABggAAIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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