CAS 84540-59-0 4-(Chloromethyl)-2-nitrotoluene (HCID 597730)

基本情報

CAS: 84540-59-0
標準SMILES: Cc1ccc(CCl)cc1[N+](=O)[O-]
InChIKey: DLTKEOYTIZIUKD-UHFFFAOYSA-N
分子式: C8H8ClNO2
平均分子量: 185.61 g/mol
単同位体質量: 185.02435618

名称と識別子

優先名称: 4-(Chloromethyl)-2-nitrotoluene
IUPAC: 4-(chloromethyl)-1-methyl-2-nitrobenzene
現地名: 4-メチル-3-ニトロベンジルクロリド
英語名: 4-Methyl-3-nitrobenzyl chloride
分子式: C8H8ClNO2
分子量: 185.61

名称と別名

84540-59-04-(Chloromethyl)-1-methyl-2-nitrobenzene4-(Chloromethyl)-2-nitrotolueneEINECS 283-154-3DLTKEOYTIZIUKD-UHFFFAOYSA-DTXSID60233534RefChem:515602DTXCID90156025283-154-3InChI=1/C8H8ClNO2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,5H2,1H34-Methyl-3-nitrobenzyl chlorideMFCD00044646

名称をさらに表示

4-(クロロメチル)-1-メチル-2-ニトロベンゼン4-メチル-3-ニトロベンジルクロリド塩化4-メチル-3-ニトロベンジル4-メチル-3-ニトロベンジルクロリドTIMTEC-BB SBB0079673-NITRO-P-TOLUYL CHLORIDE4-Methyl-3-nitrobenzyl 3-NITRO-4-METHYLBENZOYLCHLORIDE4-Methyl-3-nitrobenzyl chloride,99%4-METHYL-3-NITROBENZYL CHLORIDE 97%

Benzene, 4-(chloromethyl)-1-methyl-2-nitro-4-Methyl-3-nitrobenzylchlorideAKOS0062300394-Methyl-3-nitrobenzyl chloride, 97%EN300-175211N12005FT-0641969SCHEMBL1492448

データベース識別子

CAS: 84540-59-0
PubChem CID: 597730
DTXSID: DTXSID60233534
EC Number: 283-154-3
Nikkaji: J236.724F

物性

構造計算による物性

XLogP: 2.5
極性表面積: 45.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 169

物理化学的性質

融点: 46 °C · 46 °C
沸点: 87 °C · 87 °C
比重(密度): 1.37 g/mL · 1.37 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.581(lit.)
闪点: 230 °F · >230 °F

化学的性質

化学的特性yellow crystalline powder or chunks

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.