4-Bromo-2-cyanopyridine (HCID 693283)

이름 및 식별자

우선 이름: 4-Bromo-2-cyanopyridine
IUPAC: 4-bromopyridine-2-carbonitrile
영어명: 4-Bromo-pyridine-2-carbonitrile
분자식: C6H3BrN2
분자량: 183.01

이름 및 동의어

4-Bromo-2-cyanopyridine4-BROMO-2-PYRIDINECARBONITRILERefChem:519631688-035-34-bromopyridine-2-carbonitrile62150-45-24-bromopicolinonitrile4-BROMO-PYRIDINE-2-CARBONITRILEMFCD040658052-Pyridinecarbonitrile, 4-bromo-SCHEMBL504885DTXSID40351205

이름 더 보기

AURORA 23233OTAVA-BB BB71109524952-Cyano-4-bromopyridine4-Bromo-2-cyanopyridine,97%4-Bromopyridine-2-carbonitrile 98%

AC-9582PS-3946EN300-102445BCP27215AM200613824-Bromo-2-cyano-pyridineCHEMBL4563874SCHEMBL29850381

데이터베이스 식별자

CAS: 62150-45-2
PubChem CID: 693283
DTXSID: DTXSID40351205
ChEMBL: CHEMBL4563874
EC Number: 688-035-3

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 137

물리화학적 성질

녹는점: 82 · 82-84°C
끓는 점: 265.3 · 265.3±20.0 °C(Predicted)
밀도: 1.72 · 1.72±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): -2.73 · -2.73±0.10(Predicted)
색상: 미색부터 밝은 베이지까지
InChI: InChI=1S/C6H3BrN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChIKey: CZXDCTUSFIKLIJ-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=CC(Br)=C1

화학적 성질

Off-Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (22.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (11.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (77.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (77.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (11.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 9 reports by companies from 5 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 CategoriesAcute Tox. 3 (22.2%)；Acute Tox. 4 (77.8%)；Acute Tox. 3 (11.1%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (77.8%)；Eye Irrit. 2A (77.8%)；Acute Tox. 3 (11.1%)；Acute Tox. 4 (66.7%)；STOT SE 3 (77.8%)