CAS 149806-06-4 6-Bromo-3-pyridinecarboxaldehyde (HCID 11769234)

기본 정보

CAS: 149806-06-4
표준 SMILES: O=Cc1ccc(Br)nc1
InChIKey: PVUKGNBRJFTFNJ-UHFFFAOYSA-N
분자식: C6H4BrNO
평균 분자량: 186.01 g/mol
단동위원소 질량: 184.94763

이름 및 식별자

우선 이름: 6-Bromo-3-pyridinecarboxaldehyde
IUPAC: 6-bromopyridine-3-carbaldehyde
영어명: 2-Bromopyridine-5-carbaldehyde
분자식: C6H4BrNO
분자량: 186.01

이름 및 동의어

149806-06-46-Bromo-3-pyridinecarboxaldehydeRefChem:540948629-088-46-Bromonicotinaldehyde6-bromopyridine-3-carbaldehyde2-Bromopyridine-5-carbaldehyde2-Bromo-5-formylpyridine2-bromopyridine-5-carboxaldehyde6-bromopyridine-3-carboxaldehyde3-pyridinecarboxaldehyde, 6-bromo-MFCD04115419

이름 더 보기

6-Bromo-3-pyridinecarbaldehyde2-Bromo-5-aldopyridineAbemaciclib Impurity 376-Bromo-3-pyridinecarboxaL2-BROMO-5-FORMYLPYRIDINE97+%

2-Bromo-5-pyridinecarboxaldehyde6-bromo-pyridine-3-carbaldehyde6-Bromo-3-formylpyridine6-bromo-nicotinaldehydeAbemaciclib Impurity 223-formyl-6-bromopyridineY2CE2F6NUU2-bromo-5-formyl-pyridine

데이터베이스 식별자

CAS: 149806-06-4
PubChem CID: 11769234
DTXSID: DTXSID70472119
ChEMBL: CHEMBL4463248
UNII: Y2CE2F6NUU
EC Number: 629-088-4
Nikkaji: J1.047.431K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 107

물리화학적 성질

녹는점: 104 · 104-110 °C(lit.)
끓는 점: 284 ° · 284°
밀도: 1.683 · 1.683
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 디클로로메탄, 에테르, 에틸 아세테이트 및 메탄올에 용해됩니다.
물리적 상태: 고체
산도 계수 (pKa): -1.01 · -1.01±0.10(Predicted)
색상: 옅은 노랑
InChI: InChI=1S/C6H4BrNO/c7-6-2-1-5(4-9)3-8-6/h1-4H
InChIKey: PVUKGNBRJFTFNJ-UHFFFAOYSA-N
SMILES: C1=NC(Br)=CC=C1C=O

화학적 성질

Light yellow Cryst

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 47 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Bromopyridine-5-carbaldehyde can be a useful synthetic intermediate

상·하류 제품 정보

상류 원료

2,5-Dibromopyridine Pyridine, 2-bromo-5-(dibromomethyl)-2-Chloropyridine-5-carbaldehyde N,N-다이메틸폼아마이드 2-Bromo-5-iodopyridine Pyridine, 2-bromo-5-(bromomethyl)- (9CI)포르말린 부틸마그네슘 탄산칼슘

하류 제품

6-Bromonicotinic acid 6-(Trifluoromethyl)pyridine-3-carboxaldehyde Pyridine, 2-bromo-5-(dimethoxymethyl)-6-티엔-2-일니코틴알데히드 6-(2,4-Difluorophenyl)-3-pyridinecarbaldehyde (R)-Methyl-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine

화합물 노트

불러오는 중…

6-Bromo-3-pyridinecarboxaldehyde