alpha-Chloro-m-nitrotoluene

HCID 12078CAS 619-23-8

기본 정보

표준 SMILES
O=[N+]([O-])c1cccc(CCl)c1
InChIKey
APGGSERFJKEWFG-UHFFFAOYSA-N
분자식
C7H6ClNO2
평균 분자량
171.58 g/mol
단동위원소 질량
171.00870611

개요

M-nitrobenzyl chloride is a yellow to brown solid. (NTP, 1992)

이름 및 식별자

우선 이름
alpha-Chloro-m-nitrotoluene
IUPAC
1-(chloromethyl)-3-nitrobenzene
영어명
3-Nitrobenzyl chloride
분자식
C7H6ClNO2
분자량
171.58

이름 및 동의어

3-Nitrobenzyl chloride619-23-81-(Chloromethyl)-3-nitrobenzenem-Nitrobenzyl chlorideBenzene, 1-(chloromethyl)-3-nitro-Toluene, alpha-chloro-m-nitro-ALPHA-CHLORO-M-NITROTOLUENEToluene, .alpha.-chloro-m-nitro-CCRIS 2324DTXSID4025743Toluene, alpha-chloro-3-nitro-HSDB 2680
이름 더 보기
AKOS BBS-00004022a-Chloro-3-nitrotolueneA-CHLORO-M-NITROTOLUENEà-chloro-3-nitrotolueneα-chloro-3-nitrotolueneα-Chloro-m-nitrotoluene?-chloro-3-nitrotoluene
NSC 9802EINECS 210-586-1OJL133898ONSC-9802DTXCID305743.ALPHA.-CHLORO-M-NITROTOLUENE [HSDB]mNitrobenzyl chloride3Nitrobenzyl chloride

데이터베이스 식별자

CAS
619-23-8
PubChem CID
12078
DTXSID
DTXSID4025743
ChEMBL
CHEMBL1344952
UNII
OJL133898O
EC Number
210-586-1
Nikkaji
J7.042D

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
Color/FormPALE YELLOW NEEDLES FROM PETROLEUM ETHER
Solubility · 2건

less than 1 mg/mL at 72 °F (NTP, 1992)

INSOL IN WATER; SOL IN ALCOHOL, ETHER, BENZENE, ACETIC ACID; VERY SOL IN ETHYL ACETATE, ACETONE

Boiling Point · 2건

343 to 361 °F at 30-35 mmHg (NTP, 1992)

175-183 °C @ 30-35 MM HG

Melting Point · 2건

113 to 117 °F (NTP, 1992)

45-47 °C

물리화학적 성질

녹는점
43 · 43-47 °C(lit.)
끓는 점
85 · 85-87 °C5 mm Hg(lit.)
밀도
1503 · 1503
굴절률
1.5577 · 1.5577 (estimate)
인화점
230 °F · >230 °F
용해도
메탄올에 용해됨

화학적 성질

yellow to brown crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

DOT LabelCorrosive
Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards SummaryA mutagen; [RTECS] Emergency treatment: methemoglobinemia; [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may 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 FightingFires involving this compound can be controlled using dry chemical, carbon dioxide or Halon extinguishers. (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: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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 EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XS9090000
ridadr
UN 3261 8/PG 2
HS 번호
29049090
risk_code
34-36

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-(chloromethyl)-3-nitro-: ACTIVE

응용 분야

용도3-Nitrobenzyl chloride was used in the synthesis of 8-chloropurine.

일반 설명Yellow to brown solid.

공급사8 곳

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

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91건

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