2,5-Dibromo-3-methylpyridine

HCID 817680CAS 3430-18-0

기본 정보

표준 SMILES: Cc1cc(Br)cnc1Br
InChIKey: LIMXEVCFAUTBCK-UHFFFAOYSA-N
분자식: C6H5Br2N
평균 분자량: 250.92 g/mol
단동위원소 질량: 248.87887336

이름 및 식별자

우선 이름: 2,5-Dibromo-3-methylpyridine
IUPAC: 2,5-dibromo-3-methylpyridine
영어명: 2,5-Dibromo-3-methylpyridine
분자식: C6H5Br2N
분자량: 250.92

이름 및 동의어

2,5-Dibromo-3-methylpyridine3430-18-0DTXSID30355833RefChem:82766DTXCID00306892608-965-52,5-Dibromo-3-picolineMFCD020930852,5-dibromo-3-methyl-pyridine2,5-Dibromo-3-methylpyridine, 98%PYRIDINE, 2,5-DIBROMO-3-METHYL-SCHEMBL390289

이름 더 보기

TIMTEC-BB SBB0031432,5-Dibromo-3-methyl2,5-Dibromo-3-picoline,98%2-CHLORO-5-HYDROXY-3-PICOLINE2,5-Di BroMo-3-Methyl Pyridnie2,5-Dibromo-3-methylpyridine>Pyridine, 2,5-dibromo-3-methyl-2,5-DibroMo-3-Methylpyridine, 97%, 97%

SCHEMBL29393219LIMXEVCFAUTBCK-UHFFFAOYSA-NSBB003143AKOS002663794AB10779AC-6237CS-W009012FD40243

데이터베이스 식별자

CAS: 3430-18-0
PubChem CID: 817680
DTXSID: DTXSID30355833
EC Number: 608-965-5
Nikkaji: J1.335.758G

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

물리화학적 성질

녹는점: 43 · 43-47 °C (lit.)
끓는 점: 114 °C · 114 °C / 6mmHg
밀도: 1.9318 · 1.9318 (rough estimate)
굴절률: 1.63 · 1.6300 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
산도 계수 (pKa): -1.27 · -1.27±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 미색부터 베이지까지
InChI: InChI=1S/C6H5Br2N/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
InChIKey: LIMXEVCFAUTBCK-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(Br)C=C1C

화학적 성질

Off-white to beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (39.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 103 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (39.8%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 29333990
risk_code: 22-36/38-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-36/37/39-36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects