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About This Item
Linear Formula:
NH2CH(CN)2 · CH3C6H4SO3H
CAS Number:
Molecular Weight:
253.28
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
225-817-1
Beilstein/REAXYS Number:
4050747
MDL number:
Assay:
98%
Quality Segment
assay
98%
mp
174 °C (dec.) (lit.)
functional group
amine, nitrile, tosylate
SMILES string
NC(C#N)C#N.Cc1ccc(cc1)S(O)(=O)=O
InChI
1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)10;4-1-3(6)2-5/h2-5H,1H3,(H,8,9,10);3H,6H2
InChI key
MEUWQVWJLLBVQI-UHFFFAOYSA-N
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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