2-ニトロベンジルクロリド

2-Nitrobenzyl chloride

HCID 11921

基本情報

CAS
612-23-7
標準SMILES
O=[N+]([O-])c1ccccc1CCl
InChIKey
BXCBUWKTXLWPSB-UHFFFAOYSA-N
分子式
C7H6ClNO2
平均分子量
171.58 g/mol
単同位体質量
171.00870611

概要

O-nitrobenzyl chloride appears as pale yellow crystals. Insoluble in water. Is thermally unstable.

名称と識別子

優先名称
2-Nitrobenzyl chloride
IUPAC
1-(chloromethyl)-2-nitrobenzene
現地名
2-ニトロベンジルクロリド
英語名
2-Nitrobenzyl chloride
分子式
C7H6ClNO2
分子量
171.58

名称と別名

2-Nitrobenzyl chloride612-23-71-(Chloromethyl)-2-nitrobenzeneO-NITROBENZYL CHLORIDEalpha-Chloro-2-nitrotolueneBenzene, 1-(chloromethyl)-2-nitro-2-NitrobenzylchlorideDTXSID9025744Toluene, .alpha.-chloro-o-nitro-MFCD00007185HB8U484NPM.alpha.-Chloro-o-nitrotoluene
名称をさらに表示
2-ニトロベンジルクロリド1-ニトロ-2-(クロロメチル)ベンゼン1-(クロロメチル)-2-ニトロベンゼンα-クロロ-2-ニトロトルエン1-クロロメチル-2-ニトロベンゼンo-ニトロベンジルクロリドα-クロロ-o-ニトロトルエンω-クロロ-o-ニトロトルエン塩化2-ニトロベンジル, 98+%塩化2-ニトロベンジルAKOS BBS-00004020A-CHLORO-O-NITROTOLUENEα-chloro-2-nitrotolueneà-chloro-2-nitrotoluene2-NitrobenzylChloride98%2-NitrobenzylChloride>
NSC-665001-Nitro-2-(chloromethyl)benzeneo-Nitrobenzylchlorido-nitrobenzylchloride2-nitro-benzylchlorideSCHEMBL69613MLS0024544292-Nitrobenzyl chloride, 99%

データベース識別子

CAS
612-23-7
PubChem CID
11921
DTXSID
DTXSID9025744
ChEMBL
CHEMBL175193
UNII
HB8U484NPM
EC Number
210-300-5
Nikkaji
J2.993I

物性

構造計算による物性

XLogP
2.5
極性表面積
45.8 Ų
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
11

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesDensity
Density1.5557 (NTP, 1992) - Denser than water; will sink
SolubilityInsoluble (NTP, 1992)
Flash Point · 2 件

greater than 235 °F (NTP, 1992)

Flash point > 235 °F

Melting Point122 to 126 °F (NTP, 1992)

物理化学的性質

融点
46 · 46-48 °C (lit.)
沸点
127 · 127-133 °C/10 mmHg (lit.)
比重(密度)
1 · 1,556 g/cm3
屈折率
1.5557 · 1.5557 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

DOT LabelCorrosive
Fire HazardsThis compound is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. Lachrymator. Causes irritation on contact. Hazardous decomposition products. Mutagen. (NTP, 1992)
Hazards SummaryToxic; Lachrymator; Mutagen; [CAMEO] Corrosive; Causes burns; Inhalation can cause chemical pneumonitis; [MSDSonline]
Reactive GroupHalogenated Organic Compounds
Reactivity Profile · 1 件

A halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

安全と保護具

Fire Fighting · 1 件

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F
19-21
wgk
3
rtecs
XS9092000
ridadr
UN 3261 8/PG 2
hs_code
29049090
risk_code
34-36

化学と産業

応用分野

使用2-Nitrobenzyl chloride has been used to introduce the photo labile 2-nitrobenzyl protecting group for the phenolic OH group of tyrosine. It is used as a pharmaceutical intermediate.

一般的な説明Pale yellow crystals. Insoluble in water. Is thermally unstable.

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