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About This Item
Linear Formula:
CH3C6H3(NCO)2
CAS Number:
Molecular Weight:
174.16
UNSPSC Code:
12162002
NACRES:
NA.23
PubChem Substance ID:
EC Number:
202-039-0
Beilstein/REAXYS Number:
2211546
MDL number:
Quality Segment
assay
97%
form
liquid
autoignition temp.
>1148 °F
refractive index
n20/D 1.571 (lit.)
bp
129-133 °C/18 mmHg (lit.)
density
1.225 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
Cc1c(cccc1N=C=O)N=C=O
InChI
1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
InChI key
RUELTTOHQODFPA-UHFFFAOYSA-N
signalword
Danger
Hazard Classifications
Acute Tox. 2 Inhalation - Aquatic Chronic 3 - Carc. 2 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 2
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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