o-클로로톨루엔

o-클로로톨루엔
o-클로로톨루엔 구조식 이미지
카스 번호:
95-49-8
한글명:
o-클로로톨루엔
동의어(한글):
2-클로로톨루엔;0-클로로톨루엔;o-클로로톨루엔;오쏘-클로로톨루엔
상품명:
2-Chlorotoluene
동의어(영문):
OCT;O-CHLOROTOLUENE;1-CHLORO-2-METHYLBENZENE;ortho-Chlorotoluene;2-Methylchlorobenzene;2,4-Dicyano-3-methylpentanediamide;halso99;Halso 99;2-Chlortoluol;o-Chlortoluol
CBNumber:
CB9245073
분자식:
C7H7Cl
포뮬러 무게:
126.58
MOL 파일:
95-49-8.mol
MSDS 파일:
SDS

o-클로로톨루엔 속성

녹는점
-36 °C (lit.)
끓는 점
157-159 °C (lit.)
밀도
1.083 g/mL at 25 °C (lit.)
증기 밀도
4.38 (vs air)
증기압
10 mm Hg ( 43 °C)
굴절률
n20/D 1.525(lit.)
인화점
117 °F
저장 조건
0-6°C
용해도
H2O: 20°C에서 난용성0.047g/L
물리적 상태
액체
색상
투명한
폭발한계
1.0-12.6%(V)
수용성
약간 용해됨
Merck
14,2171
BRN
1904175
Dielectric constant
4.4500000000000002
노출 한도
ACGIH: TWA 50 ppm
NIOSH: TWA 50 ppm(250 mg/m3); STEL 75 ppm(375 mg/m3)
InChIKey
IBSQPLPBRSHTTG-UHFFFAOYSA-N
LogP
3.42 at 25℃
CAS 데이터베이스
95-49-8(CAS DataBase Reference)
NIST
Benzene, 1-chloro-2-methyl-(95-49-8)
EPA
o-Chlorotoluene (95-49-8)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xn,N,F,Xi,T
위험 카페고리 넘버 20-51/53-39/23/24/25-23/24/25-11
안전지침서 24/25-61-45-36/37-16-7
유엔번호(UN No.) UN 2238 3/PG 3
WGK 독일 2
RTECS 번호 XS9000000
자연 발화 온도 600°C
위험 참고 사항 Irritant/Flammable
TSCA Yes
위험 등급 3
포장분류 III
HS 번호 29036990
유해 물질 데이터 95-49-8(Hazardous Substances Data)
기존화학 물질 KE-05915
그림문자(GHS): GHS hazard pictogramsGHS hazard pictogramsGHS hazard pictogramsGHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H226 인화성 액체 및 증기 인화성 액체 구분 3 경고
H332 흡입하면 유해함 급성 독성 물질 흡입 구분 4 경고 GHS hazard pictograms P261, P271, P304+P340, P312
H410 장기적 영향에 의해 수생생물에 매우 유독함 수생 환경유해성 물질 - 만성 구분 1 경고 GHS hazard pictograms P273, P391, P501
예방조치문구:
P201 사용 전 취급 설명서를 확보하시오.
P202 모든 안전 조치 문구를 읽고 이해하기 전에는 취급하지 마시오.
P210 열·스파크·화염·고열로부터 멀리하시오 - 금연 하시오.
P273 환경으로 배출하지 마시오.
P308+P313 노출 또는 접촉이 우려되면 의학적인 조치· 조언를 구하시오.
NFPA 704
2
0

o-클로로톨루엔 MSDS


1-Chloro-2-methylbenzene

o-클로로톨루엔 C화학적 특성, 용도, 생산

개요

2-Chlorotoluene can be mineralized completely by Rhodococcus, strain OCT 10 DSM 45596(T). It is used in the preparation of 3-chloro-4-methylcatechol and 4-chloro-3-methylcatechol. The oxidation of 2-chlorotoluene is very well catalyzed by the enzymes: toluene dioxygenase of P. putida F1 and chlorobenzene dioxygenase from Burkholderia, strain PS12.

화학적 성질

o-Chlorotoluene is a flammable, colorless liquid with an aromatic odor.

용도

Solvent and intermediate for organic chemicals and dyes.
2-Chlorotoluene is used for permanganate oxidation to give o-chlorobenzoic acid. It is used in the preparation of 3-chloro-4-methylcatechol and 4-chloro-3-methylcatechol.
2-Chlorotoluene can be used as a precursor to synthesize aryl coupling products via palladium-catalyzed Negishi cross-coupling. It can also be used in the Buchwald-Hartwig amination to synthesize arylamines.

제조 방법

The solution of cuprous chloride is cooled in an ice bath 0-5° C temperature. In this cold solution, the 2-methylbenzenediazonium is poured with constant shaking and allowing the mixture to come to room temperature. After about 10 minutes, the mixture gradually warmed with a good shaking.As the temperature rises the brown addition product begins to decompose with the evolution of nitrogen and with the formation of an oily layer of 2-chlorotoluene. When the decomposition reaction is at an end, the mixture is steam distilled, continuing the process only as long as oily droplets are present in the distillate, for the product is not appreciably soluble in water. The layer of 2-chlorotoluene is carefully separated and washed twice with an equal volume of concentrated sulfuric acid, which removes both the 2-cresol and the azo compound. Then 2-chlorotoluene is washed with water in order to remove the inorganic acid. Finally, 2-chlorotoluene is dried over calcium chloride, distilled, using an air condenser and collecting the product boiling at 153-158° C. Pure 2-chlorotoluene boils at 157° C. The yield is 25-30 g.
synthesis of 2-chlorotoluene
Experiments in Organic Chemistry, L. F. Fieser, 216, 1941
Highly Selective Oxidative Monochlorination To Synthesize Organic Intermediates: 2-Chlorotoluene, 2-Chloroaniline, 2-Chlorophenol, and 2-Chloro-4-methylphenol

일반 설명

Colorless liquid with an aromatic odor. Denser than water and poorly soluble in water. Hence sinks in water .

공기와 물의 반응

Slightly water soluble.

반응 프로필

2-Chlorotoluene may be incompatible with strong oxidizing and reducing agents. Also may be incompatible with amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Reacts violently with dimethyl sulfoxide .

위험도

Toxic by inhalation. Eye, skin, and upper respiratory tract irritant.

건강위험

Inhalation of vapor may cause respiratory irrtation. Prolonged and repeated vapor exposures may produce systemic toxic effects.

Safety Profile

Moderately toxic by unspecified routes. Flammable when exposed to heat or flame. When heated to decomposition it emits toxic fumes of Cl-. See also TOLE CHLORIDE and CHLORINATED HYDROCARBONS, AROMATIC.

잠재적 노출

o-Chlorotoluene is widely used as a solvent and intermediate in the synthesis of dyes, synthetic rubber; pharmaceuticals; and other organic chemicals. Used as an insecticide, bactericide.

운송 방법

UN2238 Chlorotoluenes, Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

Dry 2-chlorotoluene for several days with CaCl2, then distil it from Na using a glass helices-packed column. [Beilstein 5 IV 805.]

비 호환성

Incompatible with acids, alkalis, oxidizers, reducing materials; water

폐기물 처리

In accordance with 40CFR165 recommendations for the disposal of pesticides and pesticide containers. Must be disposed properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.

o-클로로톨루엔 준비 용품 및 원자재

원자재

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