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Home> Hot Product Listed D   > D-Mannose,6-(dihydrogen phosphate), disodium salt (9CI)
10605-21-7 structure

D-Mannose,6-(dihydrogen phosphate), disodium salt (9CI)

Iupac Name:methyl N-(1H-benzimidazol-2-yl)carbamate
CAS No.:10605-21-7
Molecular Weight:191.18700
Molecular Formula:C11H11F2NO3 (isomer)
Names and Identifiers
Synonyms

1gau7qn1v1 3672-15-9 (parent) 6649AH AK397969 AKOS027382555 BG01017070 disodium d-mannose 6-phosphate Disodium D-mannose6-phosphate disodium mannose 6-phosphate d-mannose 6-(phosphoric acid disodium) salt d-mannose 6-phosphate disodium salt d-mannose, 6-(dihydrogen phosphate), disodium salt einecs 251-366-5 Mannose,6-(dihydrogen phosphate), disodium salt, D- (8CI) mannose-6-phosphate disodium SCHEMBL2387370 sodium (2r,3r,4s,5s)-2,3,4,5-tetrahydroxy-6-oxohexyl phosphate unii-1gau7qn1v1

Inchi
InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
InChkey
TWFZGCMQGLPBSX-UHFFFAOYSA-N
Canonical Smiles
COC(=O)NC1=NC2=CC=CC=C2N1
Properties
Melting Point
>300°C(lit.)
Flash Point
128.3°C
HS Code
2933990013
Storage temp
−20°C
Safety and Handling
Risk Statements
R46; R60; R61; R50/53
Safety Statements
S53-S45-S60-S61-S36/37
Hazard Note
H340; H360FD; H410
Transport
UN 3077 9/PG 3
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Germ cell mutagenicity, Category 1B

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

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

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H340 May cause genetic defects

H410 Very toxic to aquatic life with long lasting effects

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.

P273 Avoid release to the environment.

Response

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

P391 Collect spillage.

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:191.18700g/mol
  • Molecular Formula:C11H11F2NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.5
  • Exact Mass:191.069
  • Monoisotopic Mass:191.069
  • Complexity:222
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:67A^2
  • Heavy Atom Count:14
  • 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: AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQAAAACAiBFgIz2LbJlACo ASRifACCgC2hEqAJmSAwdJmIaKLAmZGUIAhokQJIyCcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
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  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
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