3-Methylphenylacetylene

HCID 136600CAS 766-82-5

기본 정보

표준 SMILES: C#Cc1cccc(C)c1
InChIKey: RENYIDZOAFFNHC-UHFFFAOYSA-N
분자식: C9H8
평균 분자량: 116.16 g/mol
단동위원소 질량: 116.06260026

이름 및 식별자

우선 이름: 3-Methylphenylacetylene
IUPAC: 1-ethynyl-3-methylbenzene
영어명: 3-Ethynyltoluene
분자식: C9H8
분자량: 116.16

이름 및 동의어

3-Ethynyltoluene766-82-53-MethylphenylacetyleneDTXSID00227412RefChem:504313DTXCID00149903628-378-81-ethynyl-3-methylbenzenem-Tolylacetylene1-ethynyl-3-methyl-benzene3'-METHYLPHENYL ACETYLENE3-tolylacetylene

이름 더 보기

m-Ethylnyltoluene3-Ethynyltoluene>m-Tolylacetylene,97%3-Ethynyltoluene 97%3-Ethynyltoluene, 97%3-Ethynyltoluene Stage 3

MFCD01318174Benzene,1-ethynyl-3-methyl-RENYIDZOAFFNHC-UHFFFAOYSA-PS-4892EN300-1037083'-Methylphenylacetylenem-EthynyltolueneBenzene, 1-ethynyl-3-methyl-

데이터베이스 식별자

CAS: 766-82-5
PubChem CID: 136600
DTXSID: DTXSID00227412
EC Number: 628-378-8
Nikkaji: J1.142.029J

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 126

물리화학적 성질

끓는 점: 170 · 170-175 °C(lit.)
밀도: 0.9 g/mL · 0.900 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5440(lit.)
인화점: 50 °C · 50°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 0.9073 · 0.9073
색상: 투명하고 연한 노란색에서 갈색까지
BRN: 2038007 · 2038007
InChI: 1S/C9H8/c1-3-9-6-4-5-8(2)7-9/h1,4-7H,2H3
InChIKey: RENYIDZOAFFNHC-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)C#C
NIST: 3 · 3-Methylphenylacetylene(766-82-5)

화학적 성질

Clear light yellow to brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29029090
risk_code: 10-36/37/38-65
hazard_code: Xi
safety_code: 16-26-36
포장분류: III
위험 등급: 3
Hazard Classifications: Asp. Tox. 1Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids