2-(o-Tolyl)acetonitrile

HCID 31155CAS 22364-68-7

기본 정보

표준 SMILES
Cc1ccccc1CC#N
InChIKey
WMGVPDQNPUQRND-UHFFFAOYSA-N
분자식
C9H9N
평균 분자량
131.17 g/mol
단동위원소 질량
131.07349929

이름 및 식별자

우선 이름
2-(o-Tolyl)acetonitrile
IUPAC
2-(2-methylphenyl)acetonitrile
영어명
2-Methylbenzyl cyanide
분자식
C9H9N
분자량
131.17

이름 및 동의어

2-Methylbenzyl cyanide22364-68-72-(o-Tolyl)acetonitrileo-Tolylacetonitrile2-Methylphenylacetonitrileo-MethylphenylacetonitrileBenzeneacetonitrile, 2-methyl-ACETONITRILE, o-TOLYL-2-Methylbenzeneacetonitrileo-MethylbenzylcyanideEINECS 244-937-5NSC 75859
이름 더 보기
O-XYLYL CYANIDETolylacetonitrile(2-METHYLPHENYL)ACETONITRILE2-Tolylacetonitrileo-tolyl-acetonitril-Methylbenzylcyanide2-Methylbenzyl cyani2-tolylmethylnitrile
BRN 0907182P36Y8LY38YAI3-33244NSC-75859O-METHYLBENZYL NITRILEDTXSID801768984-09-00-01791 (Beilstein Handbook Reference)RefChem:461603

데이터베이스 식별자

CAS
22364-68-7
PubChem CID
31155
DTXSID
DTXSID80176898
ChEBI
CHEBI:27982
UNII
P36Y8LY38Y
EC Number
244-937-5
Nikkaji
J55.009D

물성

구조 계산 물성

XLogP
2.1
극성 표면적
23.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

녹는점
142 · 142-143 °C
끓는 점
244 · 244-250 °C
밀도
1.056 g/mL · 1.056 g/mL at 25 °C(lit.)
굴절률
1.5264 · 1.5264-1.5284
인화점
110 °C · >110°C
저장 조건
Sealed in dry,Room Temperature

화학적 성질

clear colorless to orange-reddish liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.7%);Acute Tox. 4 (95.7%);Skin Irrit. 2 (95.7%);Eye Irrit. 2 (95.7%);Acute Tox. 4 (95.7%);STOT SE 3 (95.7%)

안전 데이터

rtecs
AM2290000
ridadr
3439
독성
mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02089,
HS 번호
29269090
risk_code
20/21/22-36/37/38
hazard_code
Xn

화학 및 산업

응용 분야

용도o-Tolylacetonitrile is used as an important raw material and intermediate in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as an organic and chemical intermediate.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

추가 설명

정의ChEBI: A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-methylphenyl group.

관련 반응

17건

연결된 노트

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