2,6-Bis(bromomethyl)pyridine

HCID 603610CAS 7703-74-4

기본 정보

표준 SMILES: BrCc1cccc(CBr)n1
InChIKey: QUTSYCOAZVHGGT-UHFFFAOYSA-N
분자식: C7H7Br2N
평균 분자량: 264.94 g/mol
단동위원소 질량: 262.89452342

이름 및 식별자

우선 이름: 2,6-Bis(bromomethyl)pyridine
IUPAC: 2,6-bis(bromomethyl)pyridine
영어명: 2,6-Bis(bromomethyl)pyridine
분자식: C7H7Br2N
분자량: 264.95

이름 및 동의어

2,6-Bis(bromomethyl)pyridine7703-74-4DTXSID70345314RefChem:445219DTXCID80296388628-946-5MFCD00191795Pyridine, 2,6-bis(bromomethyl)-2,6-Di(bromomethyl)pyridine2,6-Bis(bromomethyl)pyridine #alpha,alpha'-dibromo-2,6-lutidineAS-40739

이름 더 보기

SKL6502,6-Bis(bromoethyl)pyridine2,6-Bis(broMoMethyl)pyridine 98%2,6-Bis(bromomethyl)pyridine >alpha,alpha'-Dibromo-2,6-lutidine2,6-BIS(BROMOMETHYL)PYRIDINE ISO 9001：2015 REACH

SY053771EN300-194164AM8043442,6-Bis(bromomethyl)pyridA846454SCHEMBL245158ALBB-023566SBB071671

데이터베이스 식별자

CAS: 7703-74-4
PubChem CID: 603610
DTXSID: DTXSID70345314
EC Number: 628-946-5
Nikkaji: J752.400E

물성

구조 계산 물성

XLogP: 2
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 87.6

물리화학적 성질

녹는점: 85 · 85-87 °C(lit.)
끓는 점: 275.6 · 275.6±30.0 °C(Predicted)
밀도: 1.87 · 1.870±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystaline
산도 계수 (pKa): 1.65 · 1.65±0.24(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
InChIKey: QUTSYCOAZVHGGT-UHFFFAOYSA-N
SMILES: C1(CBr)=NC(CBr)=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: 3
ridadr: UN 3335
HS 번호: 29333990
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2,6-Bis(bromomethyl)pyridine may be used in the preparation of the following:a new pyridine-pyrazole derivative, 2,6-bis(3,5-diphenylpyrazol-1-ylmethyl)pyridinea large macrocyclic ligand, N(1),N(7)-pyridine-2,6-dimethyl-N(2),N(6)-bis(6-(3-(1H-benzo[d]imidazol-1-yl)propanamido)pyridin-2-yl)pyridine-2,6-dicarboxamide dibromidesmall-ring, potentially tridentate Se(2)N(pyridyl)-donor macrocycles

일반 설명Crystal of 2,6-bis(bromomethyl)pyridine has the molecules related by a c-glide-plane operation. Molecules are arranged into stacks along the c axis. It participates in the synthesis of dicationic imidazolium-linked cyclophane.