1-(1-Bromoethyl)-3-nitrobenzene

HCID 22917838

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 29067-55-8
표준 SMILES: CC(Br)c1cccc([N+](=O)[O-])c1
InChIKey: CBTKUSGOSLITSO-UHFFFAOYSA-N
분자식: C8H8BrNO2
평균 분자량: 230.06 g/mol
단동위원소 질량: 228.97384

이름 및 식별자

우선 이름: 1-(1-Bromoethyl)-3-nitrobenzene
IUPAC: 1-(1-bromoethyl)-3-nitrobenzene
영어명: 1-(1-bromoethyl)-3-nitrobenzene
분자식: C8H8BrNO2
분자량: 230.06

이름 및 동의어

1-(1-bromoethyl)-3-nitrobenzene29067-55-8RefChem:419684864-085-3Benzene, 1-(1-bromoethyl)-3-nitro-(1-bromoethyl)-3-nitrobenzeneSCHEMBL2540712SCHEMBL29646530CBTKUSGOSLITSO-UHFFFAOYSA-N1-(1-bromoethyl)-3-nitro-benzeneEBA06755MFCD11180335

이름 더 보기

(RS)-1-(1-bromoethyl)-3-nitrobenzene

AKOS009306989DA-07292SY419682EN300-1262872

데이터베이스 식별자

CAS: 29067-55-8
PubChem CID: 22917838
EC Number: 864-085-3
Nikkaji: J836.073A

물성

구조 계산 물성

XLogP: 3
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 41 · 41-42 °C
끓는 점: 113 · 113-114 °C(Press: 0.6 Torr)
밀도: 1.554 · 1.554±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.