3-브로모-7-아자인돌

3-Bromo-1H-pyrrolo[2,3-b]pyridine

HCID 5523659

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 74420-15-8
표준 SMILES: Brc1c[nH]c2ncccc12
InChIKey: VJDGIJDCXIEXPF-UHFFFAOYSA-N
분자식: C7H5BrN2
평균 분자량: 197.03 g/mol
단동위원소 질량: 195.96361

이름 및 식별자

우선 이름: 3-Bromo-1H-pyrrolo[2,3-b]pyridine
IUPAC: 3-bromo-1H-pyrrolo[2,3-b]pyridine
현지명: 3-브로모-7-아자인돌
영어명: 3-Bromo-7-azaindole
분자식: C7H5BrN2
분자량: 197.03

이름 및 동의어

3-Bromo-1H-pyrrolo[2,3-b]pyridine3-Bromo-1H-pyrrolo(2,3-b)pyridineRefChem:498304625-374-83-Bromo-7-azaindole74420-15-8MFCD021792761H-PYRROLO[2,3-B]PYRIDINE, 3-BROMO-CHEMBL4866966DTXSID80420606CS-B0099AC-3102

이름 더 보기

3-브로모-7-아자인돌3-Bromo-7-azaindole 97%3-BroMo-pyrrolo[2,3-b]pyridine3-Bromo-7-azaindole (3-bromo-1H-pyrrolo[2,3-b]pyridine）3-broMo-1H-pyrrolo[2,3-b]pyridine 5-(trifluoroMethyl)-1H-iMidazole1,2,3,4,5-Cyclopentanepentayl,1-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(R)-(dimethylamino)phenylmethyl]-,ironsalt(2:5)

SY003833EN300-3048362R-06343-bromopyrrolo[2,3-b]pyridine3-Bromo-pyrrolo[2,3-b]pyridine;3-Bromo-7-aza indoleSCHEMBL4106243-Bromo-7-azaindole, 97%

데이터베이스 식별자

CAS: 74420-15-8
PubChem CID: 5523659
DTXSID: DTXSID80420606
ChEMBL: CHEMBL4866966
EC Number: 625-374-8
Nikkaji: J848.793F

물성

구조 계산 물성

XLogP: 2
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

녹는점: 185 · 185-189 °C
끓는 점: 345.4 · 345.4±42.0 °C(Predicted)
밀도: 1.79 · 1.79±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 디클로로메탄, 에틸아세테이트에용해됨
산도 계수 (pKa): 5.89 · 5.89±0.20(Predicted)
물리적 상태: 가루
색상: 흰색에서 갈색으로
InChI: 1S/C7H5BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChIKey: VJDGIJDCXIEXPF-UHFFFAOYSA-N
SMILES: Brc1c[nH]c2ncccc12

화학적 성질

3-Bromo-7-azaindole is Yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (93.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (95.5%): 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 44 reports by companies from 6 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 (90.9%)；Skin Irrit. 2 (97.7%)；Eye Dam. 1 (93.2%)；STOT SE 3 (95.5%)

안전 데이터

wgk: 3
ridadr: UN 2811
HS 번호: 29339900
risk_code: 22-37/38-41
hazard_code: Xi,Xn
safety_code: 26-36/37/39
포장분류: Ⅲ
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects