2-벤질피리딘

2-(Phenylmethyl)pyridine

HCID 7581CAS 101-82-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc(Cc2ccccn2)cc1
InChIKey: PCFUWBOSXMKGIP-UHFFFAOYSA-N
분자식: C12H11N
평균 분자량: 169.22 g/mol
단동위원소 질량: 169.08914935

개요

an inducer of hepatic microsomal cytochrome P450

이름 및 식별자

우선 이름: 2-(Phenylmethyl)pyridine
IUPAC: 2-benzylpyridine
현지명: 2-벤질피리딘
영어명: 2-Benzylpyridine
분자식: C12H11N
분자량: 169.22

이름 및 동의어

2-BENZYLPYRIDINE101-82-6Pyridine, 2-(phenylmethyl)-2-(Phenylmethyl)pyridineEW2N4V60MQNSC-4033DTXSID5059240RefChem:85591DTXCID8032590202-979-1Pyridine, 2-benzyl-2-benzyl-pyridine

이름 더 보기

2-벤질피리딘CDD 3529NSC 2410722-benzyl-pyridinAKOS BBS-000043832-Benzylpyridine >2-Benzylpyridine, 98+%2-PHENYLPYRIDYLMETHANE

Pheniramine Maleate EP Impurity AMFCD00006352NSC 4033EINECS 202-979-1UNII-EW2N4V60MQbenzylpyridineBRN 0115875AI3-11559

데이터베이스 식별자

CAS: 101-82-6
PubChem CID: 7581
DTXSID: DTXSID5059240
ChEMBL: CHEMBL3248606
UNII: EW2N4V60MQ
EC Number: 202-979-1
Nikkaji: J36.122D

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 138

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 8 · 8-10 °C (lit.)
끓는 점: 276 °C · 276 °C (lit.)
밀도: 1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.579(lit.)
인화점: 257 °F · 257 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: liquid
산도 계수 (pKa): 5.13 · 5.13(at 25℃)
색상: 노란색
수용성: 불용성
BRN: 115875 · 115875
InChI: 1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
InChIKey: PCFUWBOSXMKGIP-UHFFFAOYSA-N
SMILES: C(c1ccccc1)c2ccccn2
LogP: 2.57 · 2.570 (est)
NIST: 2 · Pyridine, 2-(phenylmethyl)-(101-82-6)
EPA: 2 · Pyridine, 2-(phenylmethyl)- (101-82-6)

화학적 성질 · 1건

2-Benzylpyridine is a clear yellow to brown liquid or pale straw-colored oily liquid. Poorly soluble in water, soluble in alcohol and oils. Powerful green vegetable type odor with considerable resemblance to the odor of raw stringbeans (or “Haricots-verts”). The warm-herbaceous undertone is often accompanied by traces of a protein-like terminal note, possibly impurity-odor. Moderate tenacity.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Pyridine, 2-(phenylmethyl)-

Pyridine, 2-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (11.4%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: US2620000
ridadr: 2810
독성: LD50 scu-mus: 1500 mg/kg AEPPAE 227,129,55
HS 번호: 29333999
risk_code: 36-36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-37/39
기존화학 물질: KE-28405
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPyridine, 2-(phenylmethyl)-: ACTIVE

응용 분야

용도2-Benzylpyridine is a benzylpyridine with antifungal properties. 2-Benzylpyridine is also used as a chromogenic reagent for micro determination of Molybednum.