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Home> Hot Product Listed T   > T6503514
13716-12-6 structure

T6503514

Iupac Name:tritert-butylphosphane
CAS No.:13716-12-6
Molecular Weight:202.322
Molecular Formula:C18H19NO4S (isomer)
Names and Identifiers
Synonyms

1-(4-cyanophenyl)-3-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)urea MCULE-5424580849 MOLPORT-009-072-114 Z595790436 ZINC40554374

Inchi
InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3
InChkey
BWHDROKFUHTORW-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)P(C(C)(C)C)C(C)(C)C
Properties
Melting Point
30℃
Vapour
0.105mmHg at 25°C
Safety and Handling
Risk Statements
R17;R34
Safety Statements
S25;S36/37/39;S45
HazardClass
4.2
Hazard Note
H250; H314
PackingGroup
I
Transport
UN 2846
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Pyrophoric solids, Category 1

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H250 Catches fire spontaneously if exposed to air

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P222 Do not allow contact with air.

P231+P232 Handle and store contents under inert gas/.... Protect from moisture.

P233 Keep container tightly closed.

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

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

P264 Wash ... thoroughly after handling.

Response

P302+P335+P334 IF ON SKIN: Brush off loose particles from skin. Immerse in cool water [or wrap in wet bandages].

P370+P378 In case of fire: Use ... to extinguish.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:202.322g/mol
  • Molecular Formula:C18H19NO4S
  • Compound Is Canonicalized:True
  • Exact Mass:202.185
  • Monoisotopic Mass:202.185
  • Complexity:128
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:13
  • 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: AAADceBwAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAgAAAAADACAAAACAAAAACAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-21-33758180
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