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Home> Hot Product Listed A   > A0508/0023594
623-03-0 structure

A0508/0023594

Iupac Name:4-chlorobenzonitrile
CAS No.:623-03-0
Molecular Weight:137.566
Molecular Formula:C10H13NO2S (isomer)
Names and Identifiers
Synonyms

AC1MOSTH AKOS003679849 AKOS016348577 BG01075533 CHEMDIV1_010750 EU-0084142 HMS617I14 isopropyl 2-amino-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate isopropyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4h-chromene-3-carboxylate MCULE-7617614147 MOLPORT-000-922-458 OPREA1_237068 propan-2-yl 2-amino-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate propan-2-yl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4h-chromene-3-carboxylate RSC007477 sr-01000509193 SR-01000509193-1 STK748611 STOCK1S-13919 ZINC00705902

Inchi
InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChkey
GJNGXPDXRVXSEH-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C#N)Cl
Properties
Melting Point
91-94℃
Refractive Index
1.6088 (17 C)
HS Code
29269095
Safety and Handling
Risk Statements
R20/22;R36/37/38
Safety Statements
S23;S26;S36
HazardClass
6.1(b)
PackingGroup
III
Transport
200kgs
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
AlzChem AG 2014
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2012
Clariant Plastics & Coatings (Deutschland) GmbH 2012
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

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

H319 Causes serious eye irritation

H412 Harmful 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.

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.

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

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:137.566g/mol
  • Molecular Formula:C10H13NO2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.6
  • Exact Mass:137.003
  • Monoisotopic Mass:137.003
  • Complexity:127
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:23.8A^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: AAADcYBiAAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIAAAAADAKBGCAwAIAAAACQ BiBCAAAiAAAgBQAIiAAAAogIoCKBExCAIAAggAAIiA8AgAAOBAAAAAAAAAAIAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-88938652
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
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  • Fax:86-27-87772287
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