1-Chloro-2,3-dimethylbenzene

HCID 32884CAS 25323-41-5

기본 정보

표준 SMILES: Cc1cccc(Cl)c1C
InChIKey: NVLHGZIXTRYOKT-UHFFFAOYSA-N
분자식: C8H9Cl
평균 분자량: 140.61 g/mol
단동위원소 질량: 140.03927797

이름 및 식별자

우선 이름: 1-Chloro-2,3-dimethylbenzene
IUPAC: 1-chloro-2,3-dimethylbenzene
영어명: 3-Chloro-o-xylene
분자식: C8H9Cl
분자량: 140.61

이름 및 동의어

1-chloro-2,3-dimethylbenzene608-23-1NVLHGZIXTRYOKT-UHFFFAOYSA-RefChem:431164480-880-4612-040-1InChI=1/C8H9Cl/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H33-Chloro-o-xylene2,3-Dimethylchlorobenzene3-Chloro-1,2-dimethylbenzeneMFCD0006068925323-41-5

이름 더 보기

1-Chloro-o-xylene3-Chloroxylene,97%3-Chloroxylene, 97%3-Chloro-o-xylene >2,3-Dimethylcholrobenzene3-Chloro-o-dimethylbenzene

Benzene, 1-chloro-2,3-dimethyl-Benzene, chlorodimethyl-xylyl chloride3-CHLORO-ORTHO-XYLENEchloro o-xyleneMono-Chlorxylol1-chloro-2,3-dimethyl-benzenechloro-ortho-xylene

데이터베이스 식별자

CAS: 25323-41-5、608-23-1
PubChem CID: 32884
DTXSID: DTXSID501031403
EC Number: 480-880-4、612-040-1
Nikkaji: J31.764K

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 90.6

물리화학적 성질

녹는점: -41.95 °C · -41.95°C (estimate)
끓는 점: 194 °C · 194 °C(lit.)
밀도: 1.1 g/mL · 1.1 g/mL at 25 °C(lit.)
증기압: 64.9 Pa · 64.9Pa at 20℃
굴절률: 20 · n20/D 1.532(lit.)
인화점: 164 °F · 164 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
Specific Gravity: 1.06 · 1.06
수용성: 20.1 mg/L · 20.1mg/L at 24℃
InChI: 1S/C8H9Cl/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey: NVLHGZIXTRYOKT-UHFFFAOYSA-N
SMILES: Cc1cccc(Cl)c1C
LogP: 4.1 at · 4.1 at 23℃

화학적 성질

Clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 16-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25181

Hazard Classes and Categories · 2건

Skin Irrit. 2 (85.7%)

Skin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2903998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3-Chloro-o-xylene, is used as a reagent in the preparation of internal alkynes by palladacycle-catalyzed decarboxlative coupling of alkynyl carboxylic acids with aryl chlorides.