CAS 1089279-29-7 2-Ethyl-4-fluoro-1-nitrobenzene (HCID 21277365)

기본 정보

CAS: 1089279-29-7
표준 SMILES: CCc1cc(F)ccc1[N+](=O)[O-]
InChIKey: MQNMCCCUGXMTSZ-UHFFFAOYSA-N
분자식: C8H8FNO2
평균 분자량: 169.15 g/mol
단동위원소 질량: 169.05390666

이름 및 식별자

우선 이름: 2-Ethyl-4-fluoro-1-nitrobenzene
IUPAC: 2-ethyl-4-fluoro-1-nitrobenzene
영어명: 2-Ethyl-4-fluoro-1-nitrobenzene
분자식: C8H8FNO2
분자량: 169.15

이름 및 동의어

2-ethyl-4-fluoro-1-nitrobenzene1089279-29-7RefChem:471816822-240-2MFCD166586162-ethyl-4-fluoronitrobenzene2-ethyl-4-fluoro-1-nitro-benzeneSCHEMBL3108394-nitro-3-ethyl-fluorobenzeneSCHEMBL29362511MQNMCCCUGXMTSZ-UHFFFAOYSA-N1-Nitro-2-Ethyl-4-Fluorobenzene

이름 더 보기

AC1596AKOS023557927Benzene, 2-ethyl-4-fluoro-1-nitro-CS-11527SY023824DB-104592CS-0152529EN300-248236

데이터베이스 식별자

CAS: 1089279-29-7
PubChem CID: 21277365
EC Number: 822-240-2

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 169

물리화학적 성질

끓는 점: 220.3 · 220.3±20.0 °C(Predicted)
밀도: 1.223 · 1.223±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C8H8FNO2/c1-2-6-5-7(9)3-4-8(6)10(11)12/h3-5H,2H2,1H3
InChIKey: MQNMCCCUGXMTSZ-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=CC=C(F)C=C1CC

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2904990090

화학 및 산업

공급사41 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

西安祥源植化生物技术有限公司13991954170 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

화합물 노트

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