4,4'-비피리딘

4,4'-Bipyridine

HCID 11107CAS 123333-55-1
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기본 정보

표준 SMILES
c1cc(-c2ccncc2)ccn1
InChIKey
MWVTWFVJZLCBMC-UHFFFAOYSA-N
분자식
C10H8N2
평균 분자량
156.18 g/mol
단동위원소 질량
156.06874826

개요

4,4'-bipyridine is a bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'.

이름 및 식별자

우선 이름
4,4'-Bipyridine
IUPAC
4-pyridin-4-ylpyridine
현지명
4,4'-비피리딘
영어명
4,4'-Bipyridine
분자식
C10H8N2
분자량
156.18

이름 및 동의어

4,4'-Bipyridine553-26-44,4'-DIPYRIDYL4,4'-Bipyridyl4-(4-Pyridyl)pyridine4,4'-Dipyridinegamma,gamma'-Bipyridylgamma,gamma'-DipyridylDTXSID2027200X4O2OD61CBNSC-404423DTXCID107200
이름 더 보기
4,4'-바이피리딜4,4""-디피리딜4,4'-비피리딘4,4'-디피리딜4-(4-피리딜)피리딘4,4'-다이피리딘4,4-다이피리딜4-피리딘-4-일피리딘4,4-BIPYRIDINE4'-Bipyridine4,4''-BipyridineGAMMA,GAMMA-DIPYRIDYL'LGC' (1608)
CHEBI:30985RefChem:506524209-036-3628-542-94,4-Bipyridyl4-pyridin-4-ylpyridine4,4-Dipyridyl4,4'-Dipyridyl hydrate

데이터베이스 식별자

CAS
123333-55-1、37275-48-2、553-26-4
PubChem CID
11107
DTXSID
DTXSID2027200
ChEMBL
CHEMBL1374568
ChEBI
CHEBI:30985
UNII
X4O2OD61CB
EC Number
209-036-3、628-542-9
Nikkaji
J45.972K

물성

구조 계산 물성

XLogP
1.4
극성 표면적
25.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesSchoenflies notation
LogP1.33
Vapor Pressure0.0000556 [mmHg]
Physical DescriptionSolid; [IUCLID] White crystalline solid with a pungent odor; [Alfa Aesar MSDS]
Collision Cross Section135.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2027200]

물리화학적 성질

녹는점
109 · 109-112 °C(lit.)
끓는 점
305 °C · 305 °C(lit.)
밀도
1.2814 · 1.2814 (rough estimate)
굴절률
1.6057 · 1.6057 (estimate)
인화점
304 · 304-305°C
저장 조건
30 °C · Store below +30°C.

화학적 성질

off-white to tan powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301+H311 (35.4%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory Information · 3건

Chemical: 4,4'-Bipyridine

SP - indicates a substance that is identified in a proposed Significant New Use Rule.

4,4'-Bipyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Skin lesions of the face, neck, and arms reported in 30 employees in a manufacturing plant; Histological evaluation revealed a progression from keratosis to Bowen's disease, and squamous cell carcinoma in 6 cases; A study of 246 employees at 28 factories during 1984-1985 showed 34% with hyperpigmented macules and 20% with marked hyperkeratotic lesions; Not irritating to rabbit skin; Not sensitizing in guinea pig maximization test; Changes in the lung, some changes in kidney and spleen, lachrymation, swelling around eyes, and occasional convulsions observed in oral lethal-dose studies of rats; Histopathological changes to liver and kidney reported in skin irritation study of rats; Dermal LD50 (rabbit) = 400-800 mg/kg; [IUCLID] Causes lacrimation, somnolence, and dyspnea in oral lethal-dose studies of rats; [RTECS] Generally not irritating to skin; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See 2,3'-Bipyridine and 2,2'-Bipyridine.

Hazard Classes and Categories · 3건

Acute Tox. 3 (98.7%)

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 3

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DW1760000
ridadr
UN 2811 6.1/PG 3
독성
LD50 orally in Rabbit: 172 mg/kg
HS 번호
29333999

화학 및 산업

용도 및 제조

Uses · 2건

Formed as a pyrolysis product in tobacco smoke and also from the degradation of the herbicide paraquat; [Reference #1]

Smoking cigarettes [Category: Food & Drugs]

General Manufacturing Information4,4'-Bipyridine: ACTIVE
응용 분야 · 2건

용도4,4'-Bipyridine is used in transition-metal complex catalyst chemistry for uniform polymerization, in luminescence chemistry and in spectrophotometric analysis. It plays an important role as a photosensitizer and luminescent material. It is also used as a precursor to paraquat viz. N,N'-dimethyl-4,4'-bipyridinium.

일반 설명4,4′-Dipyridyl (BPY) is an organic linker mainly used in the preparation of coordination polymers. It is a pyridine derivative in which pyridyl groups can rotate along the carbon-carbon structure. It can be used as a catalyst for photoelectrochemical reduction.

상·하류 제품 정보

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

추가 설명

정의ChEBI: A bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'.

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