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Home> Encyclopedia >   /  Oxide  /  Organic Intermediate  /  Others  /  Other Auxiliary Agent  /  Borate
ADL 10-0101 structure
ADL 10-0101 structure

ADL 10-0101

Iupac Name:oxo(oxoboranyloxy)borane
CAS No.:1303-86-2
Molecular Weight:69.6202
1. Names and Identifiers
1.1 Name
ADL 10-0101
1.2 CAS No.
1303-86-2
1.3 CID
518682
1.4 Molecular Formula
C6H8N2OS (isomer)
1.5 Inchi
InChI=1S/B2O3/c3-1-5-2-4
1.6 InChkey
JKWMSGQKBLHBQQ-UHFFFAOYSA-N
1.7 Canonical Smiles
B(=O)OB=O
1.8 Isomers Smiles
B(=O)OB=O
2. Properties
3.1 Melting point
450℃
3.1 Refractive index
INDEX OF REFRACTION: 1.61
3.1 Vapour pressure
0 mm Hg (approx) (NIOSH, 2016)
3.1 Precise Quality
72.01900
3.1 PSA
43.37000
3.1 logP
-1.60300
3. Safety and Handling
4.1 Symbol
GHS08
4.1 Signal Word
Danger
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S26;S37/39
4.1 Hazard Declaration
H360FD
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P201-P308 + P313
4.1 WGK Germany
1
4.1 RTECS
ED7900000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360FD

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:69.6202g/mol
  • Molecular Formula:C6H8N2OS
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:70.0033542
  • Monoisotopic Mass:70.0033542
  • Complexity:34.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count:5
  • 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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