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Home> Hot Product Listed N   > N-ETHYL(E)-2,(Z)-6-NONADIENAMIDE
95-14-7 structure

N-ETHYL(E)-2,(Z)-6-NONADIENAMIDE

Iupac Name:2H-benzotriazole
CAS No.:95-14-7
Molecular Weight:119.12400
Molecular Formula:C10H9NO2 (isomer)
Names and Identifiers
Synonyms

N-ETHYLTRANS-2-CIS-6-NONADIENAMIDE

Inchi
InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
InChkey
QRUDEWIWKLJBPS-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=NNN=C2C=C1
Properties
Melting Point
97-99°C(lit.)
HS Code
2933990090
Safety and Handling
Risk Statements
R11; R20/21/22; R36/37/38; R5
Safety Statements
S26-S36/37-S61-S45-S36/37/39-S28A
PackingGroup
Z01
Transport
2811
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
CAC Chemical GmbH 2013
Cambridge Environmental Assessments part of RSK ADAS Ltd 2015
Connect Chemicals GmbH 2016
more >
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 2

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

H411 Toxic 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.

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:119.12400g/mol
  • Molecular Formula:C10H9NO2
  • Compound Is Canonicalized:True
  • Exact Mass:119.048
  • Monoisotopic Mass:119.048
  • Complexity:92.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:9
  • 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: AAADcYBjAAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAYAAAACAiBFgAwwLACAACi ASRiQACCBAQgEgAYuCAwdJgIYKKAkZGAIABggAAIyAcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
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