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InChI
1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1D,2D,3D,4D,5D
SMILES string
[H]C(N)(Cc1c([2H])c([2H])c([2H])c([2H])c1[2H])C(O)=O
InChI key
COLNVLDHVKWLRT-HRVDQBBZSA-N
isotopic purity
≥98 atom % D
assay
≥99% (CP), 99% (CP)
form
solid
optical activity
[α]25/D -33.0°, c = 1 in H2O
greener alternative product score
old score: 47
new score: 32
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greener alternative product characteristics
Less Hazardous Chemical Syntheses
Safer Solvents and Auxiliaries
Use of Renewable Feedstocks
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sustainability
Greener Alternative Product
mp
270-275 °C (dec.) (lit.)
greener alternative category
mass shift
M+5
Quality Level
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Related Categories
1 of 4
This Item | |||
|---|---|---|---|
| isotopic purity ≥98 atom % D | isotopic purity ≥98 atom % D | isotopic purity 99 atom % 13C | isotopic purity 98 atom % D |
| assay ≥99% (CP) | assay ≥98% (CP) | assay 99% (CP) | assay 99% (CP) |
| mass shift M+5 | mass shift M+5 | mass shift M+6 | mass shift M+8 |
| Quality Level 200 | Quality Level 200 | Quality Level 200 | Quality Level 200 |
| form solid | form solid | form solid | form - |
| mp 270-275 °C (dec.) (lit.) | mp 266-267 °C (dec.) (lit.) | mp 270-275 °C (dec.) (lit.) | mp 270-275 °C (dec.) (lit.) |
General description
Packaging
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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