Synonym: α-Chloro-4-nitrotoluene
CAS Number: 100-14-1
Empirical Formula (Hill Notation): C7H6ClNO2
Molecular Weight: 171.58
EC Number: 202-822-7
MDL Number: MFCD00007374
Linear Formula: O2NC6H4CH2Cl
Product Type: Chemical
assay | 99% |
form | solid |
functional group | chloro |
nitro | |
InChI | 1S/C7H6ClNO2/c8-5-6-1-3-7 |
InChI key | KGCNHWXDPDPSBV-UHFFFAOYSA |
mp | 70-73 °C (lit.) |
Quality Level | 100 ![]() |
SMILES string | [O-][N+](=O)c1ccc(CCl)cc1 |
solubility | chloroform: soluble 50 mg/mL, clear to very slightly hazy, faintly yellow |
Application: | 4-Nitrobenzyl chloride was used to prepare unsymmetrically N,N′-bis(substituted) 4,13-diaza-18-crown-6-eth |
General description: | 4-Nitrobenzyl chloride acts as substrate for glutathione S-transferase(GST) in determination of GST in Chinese fetal liver. It undergoes reduction by NADPH to yield 4-nitrotoluene. |
Packaging: | 25, 100 g in glass bottle |
Symbol | ![]() ![]() |
Signal word | Danger |
Hazard statements | H302 - H314 |
Precautionary statements | P264 - P270 - P301 + P312 + P330 - P303 + P361 + P353 - P305 + P351 + P338 - P501 |
Hazard Codes | C |
Risk Statements | 22-34 |
Safety Statements | 26-36/37/39-45 |
RIDADR | UN 3261 8 / PGII |
WGK Germany | WGK 3 |
Flash Point(F) | Not applicable |
Flash Point(C) | Not applicable |
Purity | 99% |
mp | 70-73 °C (lit.) |
UNSPSC | 12352100 |
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