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Home> Hot Product Listed B   > Bicyclo[2.2.1]heptane-1,2-diamine, 3,3-dimethyl-, (1S,2S,4S)- (9CI)
120068-37-3 structure

Bicyclo[2.2.1]heptane-1,2-diamine, 3,3-dimethyl-, (1S,2S,4S)- (9CI)

Iupac Name:5-amino-1-[2,
6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)
pyrazole-3-carbonitrile
CAS No.:120068-37-3
Molecular Weight:437.147779
Molecular Formula:C10H16 (isomer)
Names and Identifiers
Synonyms

(1s,2s,4s)-3,3-dimethylbicyclo[2.2.1]heptane-1,2-diamine (1s,4alpha)-3,3-dimethylnorbornane-1beta,2beta-diamine bicyclo[2.2.1]heptane-1,2-diamine,3,3-dimethyl-, -

Inchi
InChI=1/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2
InChkey
ZOCSXAVNDGMNBV-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
Properties
Melting Point
200-201℃
Vapour
1.61E-10mmHg at 25°C
Refractive Index
1.617
Safety and Handling
Risk Statements
R23/24/25
Safety Statements
S26
HazardClass
6.1(b)
PackingGroup
III
Transport
2588
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity \u2013 repeated exposure, 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

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H331 Toxic if inhaled

H372 Causes damage to organs through prolonged or repeated exposure

H410 Very 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.

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.

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:437.147779g/mol
  • Molecular Formula:C10H16
  • Exact Mass:435.938706
  • Monoisotopic Mass:435.938706
  • Complexity:599
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:104
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:0086-27-59207850
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  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-188-74586545
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