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Home> Hot Product Listed A   > AKOS000235221
54-85-3 structure

AKOS000235221

Iupac Name:pyridine-4-carbohydrazide
CAS No.:54-85-3
Molecular Weight:137.14
Molecular Formula:C8H19NO (isomer)
Names and Identifiers
Synonyms

AKOS022475220 BG00916849 n-(3-fluorophenyl)thiolan-3-amine

Inchi
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
InChkey
QRXWMOHMRWLFEY-UHFFFAOYSA-N
Canonical Smiles
C1=CN=CC=C1C(=O)NN
Properties
Melting Point
171-173 °C(lit.)
Refractive Index
1.6910 (estimate)
HS Code
29333999
Safety and Handling
Risk Statements
22-38-40-36/37/38
Safety Statements
37-36/37/39-26
PackingGroup
III
Transport
2811
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 54-85-3 EC: AKOS000235221 ·ECHA C&L Inventory for CAS: CAS: 54-85-3 EC: AKOS000235221
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin 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+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

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

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

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

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:137.14g/mol
  • Molecular Formula:C8H19NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.7
  • Exact Mass:137.059
  • Monoisotopic Mass:137.059
  • Complexity:120
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:68A^2
  • Heavy Atom Count:10
  • 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: AAADcYBjIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAYAAAADADBmgQ8gJJqEACo AjF3VACCgCA1AiIa+CE4ZNgIIHLAlZGEIQhggADIyYYUAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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