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Home> Hot Product Listed S   > STOCK3S-92790
108-42-9 structure

STOCK3S-92790

Iupac Name:3-chloroaniline
CAS No.:108-42-9
Molecular Weight:127.571
Molecular Formula:C10H8CLNO2 (isomer)
Names and Identifiers
Synonyms

3-(4-chlorophenyl)-2-((3-methylbenzyl)thio)quinazolin-4(3h)-one 3-(4-chlorophenyl)-2-[(3-methylbenzyl)sulfanyl]-4(3h)-quinazolinone 3-(4-chlorophenyl)-2-[(3-methylbenzyl)sulfanyl]quinazolin-4(3h)-one 3-(4-chlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]quinazolin-4-one 3-(4-chlorophenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one AC1LYXTP AC1Q2NIH AK259479 AKOS002176145 MOLPORT-000-443-933 ZINC2260044

Inchi
InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChkey
PNPCRKVUWYDDST-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)Cl)N
Properties
Melting Point
-11℃
Vapour
0.0762mmHg at 25°C
Refractive Index
1.5927-1.5947
HS Code
29214210
Safety and Handling
Risk Statements
R23/24/25;R33;R50/53
Safety Statements
S28;S36/37;S45;S60;S61
HazardClass
6.1
PackingGroup
II
Transport
UN 2019
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 10_100 view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Sustainability Support Services (Europe) AB 2014
Cambrex Profarmaco Milano Srl 2013
Lanxess Deutschland GmbH 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity \u2013 repeated exposure, Category 2

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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H331 Toxic if inhaled

H373 May cause damage to organs through prolonged or repeated exposure

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.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

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

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

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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

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.

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

P311 Call a POISON CENTER/doctor/\u2026

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:127.571g/mol
  • Molecular Formula:C10H8CLNO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.9
  • Exact Mass:127.019
  • Monoisotopic Mass:127.019
  • Complexity:74.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:8
  • 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: AAADcYBiAAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAIQAAAACAqBECAwwIBAAACA ACRCQACCAAAgBwAIiAAAZogIICKBk5GAIABgkAAIyAcQAAAAAAAAAAIAAAAAAAAABAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:86-574-89212210
  • Fax:86-574-89212215
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
 
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