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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 146
실험 및 물리화학적 성질
Flash Point
greater than 235 °F (NTP, 1992)
Flash point > 235 °F
Physical Description
O-nitrobenzyl chloride appears as pale yellow crystals. Insoluble in water. Is thermally unstable.
Pale yellow crystals; [CAMEO]
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.
- 용해도
- 98 % · 에탄올: 용해성98%
- 물리적 상태
- 결정, 결정질 분말 또는 덩어리
- 색상
- 노란색에서 황갈색까지
- 수용성
- 아세톤, 알코올 벤젠, 디에틸 에테르 및 에탄올(98%)에 용해됩니다. 물에 불용성.
- BRN
- 388396 · 388396
- 안정성
- 안정적인. 염기, 수분, 알코올, 산화제, 아민과 호환되지 않습니다. 강철을 부식시킵니다.
- InChI
- 1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
- InChIKey
- BXCBUWKTXLWPSB-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccccc1CCl
- EPA
- o-Nitrobenzyl chloride (612-23-7)
화학적 성질
liquid
안전 및 규제
GHS 분류
GHS Classification
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
Reactivity Profile
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
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
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
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.
독성 정보
안전 데이터
- wgk
- 3
- rtecs
- XS9092000
- ridadr
- UN 3261 8/PG 2
- HS 번호
- 29049090
- risk_code
- 34-36
- hazard_code
- C
- safety_code
- 26-36/37/39-45-27
- 포장분류
- II
- 위험 등급
- 8
- F 고인화성물질
- 19-21
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
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
하류 제품
공급사10 곳
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