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Home> Hot Product Listed P   > PB31850102
41052-75-9 structure

PB31850102

Iupac Name:(2-chlorophenyl)hydrazine;hydrochloride
CAS No.:41052-75-9
Molecular Weight:179.04700
Molecular Formula:C13H18N4O4S (isomer)
Names and Identifiers
Synonyms

5-[(naphthalen-2-yloxy)methyl]-n-(pyridin-3-ylmethyl)furan-2-carboxamide 5-[(naphthalen-2-yloxy)methyl]-n-[(pyridin-3-yl)methyl]furan-2-carboxamide AKOS008537176 MCULE-8596147057 MOLPORT-010-296-260 Z30171308 ZINC28505675

Inchi
InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H
InChkey
ADODRSVGNHNKAT-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)NN)Cl.Cl
Properties
Melting Point
200-203°C (dec.)(lit.)
HS Code
29280090
Safety and Handling
Risk Statements
R20/21/22; R50/53
Safety Statements
S36/37-S61-S36/37/39-S29-S26-S22
HazardClass
6.1(b)
PackingGroup
III
Transport
UN 3077 9/PG 3
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H332 Harmful if inhaled

H400 Very toxic to aquatic life

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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

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/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

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

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

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P391 Collect spillage.

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:179.04700g/mol
  • Molecular Formula:C13H18N4O4S
  • Compound Is Canonicalized:True
  • Exact Mass:178.006
  • Monoisotopic Mass:178.006
  • Complexity:87.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38A^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:2
  • CACTVS Substructure Key Fingerprint: AAADccBjAAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIYAAAACAqBECAwwIBiAACA ACRCQACCBAAgBwIYqAAAZogIICKBk5GAIABgkAAIyAcQAAAAAAAAAAAAABAAAAAAAAAAIAAAAAAA AA==
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