3-Tolunitrile

HCID 12104CAS 620-22-4

기본 정보

표준 SMILES
Cc1cccc(C#N)c1
InChIKey
BOHCMQZJWOGWTA-UHFFFAOYSA-N
분자식
C8H7N
평균 분자량
117.15 g/mol
단동위원소 질량
117.05784922

개요

M-tolunitrile is a clear, yellow liquid. (NTP, 1992)

이름 및 식별자

우선 이름
3-Tolunitrile
IUPAC
3-methylbenzonitrile
영어명
m-Tolunitrile
분자식
C8H7N
분자량
117.15

이름 및 동의어

m-Tolunitrile3-METHYLBENZONITRILE620-22-4m-Cyanotoluene3-CyanotolueneBenzonitrile, 3-methyl-3-Tolunitrilem-Toluonitrilem-Methylbenzonitrilem-Toluenenitrilem-Tolylnitrilem-Tolynitrile
이름 더 보기
MCTCNTMTNHHF7MCT1D
1-Methyl-3-cyanobenzene3-ToluenkarbonitrilNitril kyseliny m-toluylove3-Toluenkarbonitril [Czech]NSC 75453CCRIS 4736DTXSID6026167AH2J4VY1AK

데이터베이스 식별자

CAS
620-22-4
PubChem CID
12104
DTXSID
DTXSID6026167
ChEMBL
CHEMBL1229944
UNII
AH2J4VY1AK
EC Number
210-631-5
Nikkaji
J45.958E

물성

구조 계산 물성

XLogP
2.4
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
Density1.0316 at 68 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 77 °F (NTP, 1992)
Flash Point188 °F (NTP, 1992)
Boiling Point415 °F at 760 mmHg (NTP, 1992)

물리화학적 성질

녹는점
23 °C · −23 °C(lit.)
끓는 점
99 · 99-101 °C20 mm Hg(lit.)
밀도
0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.525(lit.)
인화점
188 °F · 188 °F
물리적 상태
액체

화학적 성질

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This chemical causes skin irritation on contact. (NTP, 1992)
Hazards SummaryA mild skin and severe eye irritant in rabbits; [EPA ChAMP: Screening-Level Hazard Characterization] An irritant; [Alfa Aesar MSDS] See m-Phthalodinitrile. See NITRILES.
Reactive GroupNitriles
Reactivity Profile · 1건

Nitriles, such as M-TOLUNITRILE, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.

Air and Water ReactionsInsoluble in water.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, foam 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.

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
3
tsca
TSCA listed
rtecs
XV0525000
ridadr
3276
HS 번호
29269095
risk_code
20/21/22-36/37/38-36/38

화학 및 산업

용도 및 제조

UsesUsed as a closed system intermediate (produced and consumed onsite) in the manufacture of Chlorothalonil (fungicide); [EPA ChAMP: Screening-Level Hazard Characterization]
General Manufacturing InformationBenzonitrile, 3-methyl-: ACTIVE

응용 분야

일반 설명Clear, yellow liquid.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

관련 반응

22건

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