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Home> Hot Product Listed T   > T6611795
95-33-0 structure

T6611795

Iupac Name:N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine
CAS No.:95-33-0
Molecular Weight:264.405
Molecular Formula:C25H25N3O3 (isomer)
Names and Identifiers
Synonyms

MCULE-8626094841 MOLPORT-009-046-594 n-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-amine Z397840184

Inchi
InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
InChkey
DEQZTKGFXNUBJL-UHFFFAOYSA-N
Canonical Smiles
C1CCC(CC1)NSC2=NC3=CC=CC=C3S2
Properties
Melting Point
93-100℃
Refractive Index
1.665
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36/37/39-61-60-37-24
HazardClass
9
PackingGroup
III
Transport
3077
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 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2012
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2010
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

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

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

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

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

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

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:264.405g/mol
  • Molecular Formula:C25H25N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:264.075
  • Monoisotopic Mass:264.075
  • Complexity:244
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:78.5A^2
  • Heavy Atom Count:17
  • 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: AAADceBzAABgAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB8AAAHAQQQAAACCjBVgQwwbJIEAik ASRiRACD8aBhCjhImLwwZJgIIKLgkZGEIAhgkABIyAcQAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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Recommended Suppliers
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  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
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