2-Methylbenzonitrile

HCID 10721

기본 정보

CAS
25550-22-5
표준 SMILES
Cc1ccccc1C#N
InChIKey
NWPNXBQSRGKSJB-UHFFFAOYSA-N
분자식
C8H7N
평균 분자량
117.15 g/mol
단동위원소 질량
117.05784922

개요

O-tolunitrile is a light blue clear liquid. (NTP, 1992)

이름 및 식별자

우선 이름
2-Methylbenzonitrile
IUPAC
2-methylbenzonitrile
영어명
o-Tolunitrile
분자식
C8H7N
분자량
117.15

이름 및 동의어

o-Tolunitrile2-METHYLBENZONITRILE529-19-12-Cyanotolueneo-Methylbenzonitrileo-Cyanotoluene2-Tolunitrileo-Tolylnitrile2-Methylbenzenecarbonitrileo-Toluic nitrileBenzonitrile, 2-methyl-DTXSID6022050
이름 더 보기
CNTbenzonitrile,2-methyl-unitriLo-Tolunitril
3048F2A3KTNSC-66549DTXCID702050RefChem:855336208-451-7o-Toluonitrileo-tolyl cyanide1-Methyl-2-cyanobenzene

데이터베이스 식별자

CAS
25550-22-5、529-19-1
PubChem CID
10721
DTXSID
DTXSID6022050
ChEMBL
CHEMBL1361840
UNII
3048F2A3KT
EC Number
208-451-7
Nikkaji
J6.679F

물성

구조 계산 물성

XLogP
2.2
극성 표면적
23.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density0.9955 at 68 °F (NTP, 1992) - Less dense than water; will float
Solubilityless than 1 mg/mL at 63 °F (NTP, 1992)
Flash Point184 °F (NTP, 1992)
Boiling Point401 °F at 760 mmHg (NTP, 1992)

물리화학적 성질

녹는점
-13 °C · -13 °C
끓는 점
205 °C · 205 °C(lit.)
밀도
0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.5279(lit.)
인화점
184 °F · 184 °F
저장 조건
30 °C · Store below +30°C.

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzonitrile, 2-methyl-

2-Tolunitrile: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards SummaryCauses spastic paralysis and convulsions in subcutaneous lethal-dose studies of rabbits; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See m-Tolunitrile.
Reactive GroupNitriles

안전 및 보호

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (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: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated 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) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
XV0600000
ridadr
3276
HS 번호
29269095
risk_code
38-52/53-36/37/38

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzonitrile, 2-methyl-: ACTIVE

응용 분야

용도o-Tolyl Cyanide, is a versatile intermediate, used in the synthesis of various pharmaceutical and biologically active compounds. It can be used in the preparation of highly efficient triarylene conjugated dyes for sensitized solar cells

일반 설명Light blue clear liquid.

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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27건

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