4-Benzyloxybenzyl chloride (HCID 70042)

名称と識別子

優先名称: 4-Benzyloxybenzyl chloride
IUPAC: 1-(chloromethyl)-4-phenylmethoxybenzene
現地名: 1-クロロメチル-4-(フェニルメトキシ)ベンゼン
英語名: 4-(Benzyloxy)benzyl chloride
分子式: C14H13ClO
分子量: 232.71

名称と別名

836-42-04-Benzyloxybenzyl chloride1-(Benzyloxy)-4-(chloromethyl)benzeneBenzene, 1-(chloromethyl)-4-(phenylmethoxy)-S2XM7MMW4SNSC-131670P-(BENZYLOXY)BENZYL CHLORIDE1-(CHLOROMETHYL)-4-(PHENYLMETHOXY)BENZENERefChem:5185394-(Benzyloxy)benzyl chloride1-(chloromethyl)-4-phenylmethoxybenzeneMFCD00000916

名称をさらに表示

ベンジル[4-(クロロメチル)フェニル]エーテル1-(クロロメチル)-4-(ベンジルオキシ)ベンゼン1-クロロメチル-4-(フェニルメトキシ)ベンゼン4-(ベンジルオキシ)ベンジルクロリド1-(ベンジルオキシ)-4-(クロロメチル)ベンゼンベンジル4-(クロロメチル)フェニルエーテル4-ベンジルオキシベンジルクロリドoxy)benzyLTIMTEC-BB SBB0007141-(Chloromethyl)-4-(Phenylmeth4-CHLOROMETHYL-A-PHENYLANISOLE4-Benzyloxybenzyl chloride 98%4-chloromethyl-α-phenylanisole4-benzylchloridebenzyloxygenradicalsBenzyl[4-(chloromethyl)phenyl] ether

F2158-0083benzyl 4-(chloromethyl)phenyl ether4-(Benzyloxy)benzylchloride4-Chloromethyl-alpha-phenylanisole1-benzyloxy-4-(chloromethyl)benzeneEINECS 212-648-3NSC1316701-(chloromethyl)-4-(benzyloxy)benzene

データベース識別子

CAS: 836-42-0
PubChem CID: 70042
DTXSID: DTXSID40232449
UNII: S2XM7MMW4S
EC Number: 212-648-3
Nikkaji: J195.109B

物性

構造計算による物性

XLogP: 3.6
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 181

物理化学的性質

融点: 77 · 77-79 °C(lit.)
沸点: 355.7 · 355.7±22.0 °C(Predicted)
比重(密度): 1.152 · 1.152±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Toluene
外見: powder to crystal
色: White to Light yellow to Light orange
BRN: 882526 · 882526
InChI: InChI=1S/C14H13ClO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKey: UYQPSKUPEXAQRJ-UHFFFAOYSA-N
SMILES: C1(CCl)=CC=C(OCC2=CC=CC=C2)C=C1
CAS データベース: 836 · 836-42-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

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

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

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationBenzene, 1-(chloromethyl)-4-(phenylmethoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

法規制情報

Regulatory InformationBenzene, 1-(chloromethyl)-4-(phenylmethoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.