3-Methylbiphenyl

HCID 12564CAS 643-93-6

기본 정보

표준 SMILES: Cc1cccc(-c2ccccc2)c1
InChIKey: NPDIDUXTRAITDE-UHFFFAOYSA-N
분자식: C13H12
평균 분자량: 168.23 g/mol
단동위원소 질량: 168.09390038

이름 및 식별자

우선 이름: 3-Methylbiphenyl
IUPAC: 1-methyl-3-phenylbenzene
영어명: 3-Phenyltoluene
분자식: C13H12
분자량: 168.23

이름 및 동의어

3-Methylbiphenyl643-93-63-Phenyltoluene1,1'-Biphenyl, 3-methyl-3-Methyldiphenylm-PhenyltolueneBiphenyl, 3-methyl-m-Methylbiphenyl(3-Methylphenyl)benzeneUNII-KFP6EO4J6PKFP6EO4J6PEINECS 211-404-3

이름 더 보기

FEMA 31863-METHYL-1,1'-BIPHENYL3-Methylbiphenybiphenyl,3-methyl-

DTXSID40609413PhenyltolueneRefChem:948421,1'Biphenyl, 3methylDTXCID2044268211-404-3InChI=1/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1HNPDIDUXTRAITDE-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 643-93-6
PubChem CID: 12564
DTXSID: DTXSID4060941
UNII: KFP6EO4J6P
EC Number: 211-404-3
Nikkaji: J105.831B

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 144

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

SpringerMaterials PropertiesDensity

Vapor Pressure0.00796 [mmHg]

Physical DescriptionLiquid; mp = 4-5 deg C; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 4 · 4-5 °C(lit.)
끓는 점: 272 °C · 272 °C(lit.)
밀도: 1.018 g/mL · 1.018 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.602(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.01 · 1.01
색상: 맑은 연한 노란색
BRN: 2039658 · 2039658
Henry's Law Constant: 1.5 · 1.5×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI: 1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey: NPDIDUXTRAITDE-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)-c2ccccc2
LogP: 4.634 · 4.634 (est)
NIST: 1 · 1,1'-Biphenyl, 3-methyl-(643-93-6)
EPA: 3 · 3-Methylbiphenyl (643-93-6)

화학적 성질

colorless to 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 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1,1'-Biphenyl, 3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Biphenyl.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29029090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1,1'-Biphenyl, 3-methyl-: ACTIVE

응용 분야

용도3-Methyl-1,1''biphenyl is a useful reagent for organic and pharmaceutical synthesis.

상·하류 제품 정보

상류 원료

Cyclohexanol, 3-methyl-1-phenyl-3-methylphenyl 4-methylbenzenesulfonate 4-Methyldibenzothiophene Benzenediazonium, 3-methyl-, tetrafluoroborate(1-)M-TOLYLMAGNESIUM BROMIDE 페닐붕산 아이오도벤젠 m-아이오도툴루엔 클로로(3-)티오펜 3-Tolylboronic acid

하류 제품

3-(Bromomethyl)biphenyl

공급사50 곳

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