2-니트로벤질염화물

2-Nitrobenzyl chloride

HCID 11921

기본 정보

CAS
612-23-7
표준 SMILES
O=[N+]([O-])c1ccccc1CCl
InChIKey
BXCBUWKTXLWPSB-UHFFFAOYSA-N
분자식
C7H6ClNO2
평균 분자량
171.58 g/mol
단동위원소 질량
171.00870611

개요

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

이름 및 식별자

우선 이름
2-Nitrobenzyl chloride
IUPAC
1-(chloromethyl)-2-nitrobenzene
현지명
2-니트로벤질염화물
영어명
2-Nitrobenzyl chloride
분자식
C7H6ClNO2
분자량
171.58

이름 및 동의어

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
이름 더 보기
2-니트로벤질염화물AKOS 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%

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.5
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

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

greater than 235 °F (NTP, 1992)

Flash point > 235 °F

Melting Point122 to 126 °F (NTP, 1992)

물리화학적 성질

녹는점
46 · 46-48 °C (lit.)
끓는 점
127 · 127-133 °C/10 mmHg (lit.)
밀도
1 · 1,556 g/cm3
굴절률
1.5557 · 1.5557 (estimate)
인화점
230 °F · >230 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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 · 1건

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.

안전 및 보호

Fire Fighting · 1건

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 · 1건

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 · 1건

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.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
rtecs
XS9092000
ridadr
UN 3261 8/PG 2
HS 번호
29049090
risk_code
34-36
hazard_code
C

화학 및 산업

응용 분야

용도2-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.

일반 설명Pale yellow crystals. Insoluble in water. Is thermally unstable.

상·하류 제품 정보

공급사10 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]

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