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Home> Encyclopedia >   /  Alcohol & Hydroxybenzene & Ether  /  Antioxidants  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Others
1-Aza-2,5-disilacyclopent-1-yl structure
1-Aza-2,5-disilacyclopent-1-yl structure

1-Aza-2,5-disilacyclopent-1-yl

Iupac Name:2-tert-butylbenzene-1,4-diol
CAS No.:1948-33-0
Molecular Weight:166.21696
1. Names and Identifiers
1.1 Name
1-Aza-2,5-disilacyclopent-1-yl
1.2 CAS No.
1948-33-0
1.3 CID
16043
1.4 Molecular Formula
C10H11NO (isomer)
1.5 Inchi
InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
1.6 InChkey
BGNXCDMCOKJUMV-UHFFFAOYSA-N
1.7 Canonical Smiles
CC(C)(C)C1=C(C=CC(=C1)O)O
1.8 Isomers Smiles
CC(C)(C)C1=C(C=CC(=C1)O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
125-130℃
3.2 Vapour
0.001mmHg at 25°C
3.3 Refractive Index
1.559
4. Safety and Handling
4.1 Risk Statements
R22
4.2 Safety Statements
S26;S28
4.3 HazardClass
9
4.3 PackingGroup
III
4.4 Transport
UN3077
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, 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

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

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.

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

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.

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

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

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.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:166.21696g/mol
  • Molecular Formula:C10H11NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:166.099379685
  • Monoisotopic Mass:166.099379685
  • Complexity:148
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5
  • Heavy Atom Count:12
  • 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
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