m-Chlorophenylacetonitrile (HCID 73722)

이름 및 식별자

우선 이름: m-Chlorophenylacetonitrile
IUPAC: 2-(3-chlorophenyl)acetonitrile
영어명: 3-Chlorobenzyl cyanide
분자식: C8H6ClN
분자량: 151.59

이름 및 동의어

3-Chlorobenzyl cyanide1529-41-53-Chlorophenylacetonitrile3-Chlorobenzeneacetonitrilem-Chlorobenzyl cyanideBENZENEACETONITRILE, 3-CHLORO-Acetonitrile, (m-chlorophenyl)-(m-Chlorophenyl)acetonitrilem-chlorophenylacetonitrileEINECS 216-213-9P8K3M9GKQ5BRN 2042965

이름 더 보기

Meta Chloro Benzyl Cyanide3-Chlorobenzyl3-Chlorobenzyl cyani3-Chloroacetonitrilem-Chlorobenzyl nitrileLABOTEST-BB LT001594903-ChlorobenzylCyanide99%

DTXSID10165154RefChem:800355DTXCID1087645Benzeneacetonitrile, 3-chloro-(9CI)216-213-9(3-Chlorophenyl)acetonitrile2-(3-chlorophenyl)acetonitrile3-Chlorobenzylcyanide

데이터베이스 식별자

CAS: 1529-41-5
PubChem CID: 73722
DTXSID: DTXSID10165154
UNII: P8K3M9GKQ5
EC Number: 216-213-9
Nikkaji: J1.770A

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 11 · 11-13 °C(lit.)
끓는 점: 134 · 134-136 °C10 mm Hg(lit.)
밀도: 1.283 g/mL · 1.283 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.544(lit.)
인화점: 230 °F · >230 °F
저장 조건: Store at room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
Specific Gravity: 1.28 · 1.280~1.282
BRN: 2042965 · 2042965
안정성: 안정적인. 강산, 강염기, 강산화제, 강환원제와 혼합할 수 없습니다.
InChI: 1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
InChIKey: GTIKLPYCSAMPNG-UHFFFAOYSA-N
SMILES: Clc1cccc(CC#N)c1
NIST: 3 · Benzeneacetonitrile, 3-chloro-(1529-41-5)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (91.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Benzeneacetonitrile, 3-chloro-

Hazard Classes and CategoriesAcute Tox. 3 (91.3%)

안전 데이터

wgk: 3
rtecs: AL8240000
ridadr: UN 3276 6.1/PG 1
독성: mouse,LD50,intraperitoneal,38mg/kg (38mg/kg),PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGEBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972.
HS 번호: 29269090
risk_code: 23/24/25-36/37/38
hazard_code: T
safety_code: 36/37/39-45-28B
포장분류: II
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials