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Home> Hot Product Listed 4   > 4-AMINO-BENZOIC ACID 1H-BENZOIMIDAZOL-2-YLMETHYL ESTER
461-58-5 structure

4-AMINO-BENZOIC ACID 1H-BENZOIMIDAZOL-2-YLMETHYL ESTER

CAS No.:461-58-5
Molecular Weight:84.07996
Molecular Formula:C12H20N2+2 (isomer)
Names and Identifiers
Synonyms

4-Amino-benzoic acid 1H-benzoimidazol-2-ylmethyl

Inchi
InChI=1/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
InChkey
QGBSISYHAICWAH-UHFFFAOYSA-N
Canonical Smiles
C(#N)N=C(N)N
Properties
Melting Point
208-211℃
Vapour
0.068mmHg at 25°C
Flash Point
>230 °F
HS Code
29262000
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S24/25
PackingGroup
Z01
Transport
25kgs
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  
FULL JOINT 10000_100000 view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
3M Belgium BVBA/SPRL 2015
AlzChem AG 2015
Chemical Inspection & Regulation Service Limited (Ningxia Darong Chemicals & Metallurgy Co., Ltd.) 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:84.07996g/mol
  • Molecular Formula:C12H20N2+2
  • XLogP3-AA:_1.2
  • Exact Mass:84.043596
  • Monoisotopic Mass:84.043596
  • Complexity:100
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:88.2
  • Heavy Atom Count:6
  • 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
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