5-브로모-4-메틸-피리딘-2-카르보니트릴

5-Bromo-4-methylpyridine-2-carbonitrile

HCID 53395468CAS 886364-86-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(C#N)ncc1Br
InChIKey: JAQLBGDFALXUMV-UHFFFAOYSA-N
분자식: C7H5BrN2
평균 분자량: 197.03 g/mol
단동위원소 질량: 195.96361

이름 및 식별자

우선 이름: 5-Bromo-4-methylpyridine-2-carbonitrile
IUPAC: 5-bromo-4-methylpyridine-2-carbonitrile
현지명: 5-브로모-4-메틸-피리딘-2-카르보니트릴
영어명: 5-Bromo-4-methyl-pyridine-2-carbonitrile
분자식: C7H5BrN2
분자량: 197.03

이름 및 동의어

886364-86-95-Bromo-4-methylpyridine-2-carbonitrileDTXSID10694156RefChem:301910DTXCID20644905691-626-95-Bromo-4-methylpicolinonitrile5-Bromo-2-cyano-4-methylpyridine5-BROMO-4-METHYL-2-PYRIDINECARBONITRILE5-bromo-4-methyl-pyridine-2-carbonitrileMFCD07375090SCHEMBL153228

이름 더 보기

5-브로모-4-메틸-피리딘-2-카르보니트릴1021065-Bromo-2-cyano-4-methyL2-Cyano-4-methyl-5-bromopyridine5-Bromo-4-methyl-2-cyanopyridine2-CYANO-5-BROMO-4-METHYL PYRIDINE2-Pyridinecarbonitrile, 5-bromo-4-methyl-

JAQLBGDFALXUMV-UHFFFAOYSA-NAKOS006286089AB41150CS-W019687FS-3207SY065579DB-078045F079169

데이터베이스 식별자

CAS: 886364-86-9
PubChem CID: 53395468
DTXSID: DTXSID10694156
EC Number: 691-626-9

물성

구조 계산 물성

XLogP: 2
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 160

물리화학적 성질

끓는 점: 293.3 · 293.3±35.0 °C(Predicted)
밀도: 1.61 · 1.61±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -2.02 · -2.02±0.18(Predicted)
물리적 상태: 가루
색상: 회색
InChI: InChI=1S/C7H5BrN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,1H3
InChIKey: JAQLBGDFALXUMV-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(Br)C(C)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.