5-Methyl-2-nitroanisole

HCID 97455

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 38512-82-2
표준 SMILES: COc1cc(C)ccc1[N+](=O)[O-]
InChIKey: XCOUVPWGTSKINY-UHFFFAOYSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

이름 및 식별자

우선 이름: 5-Methyl-2-nitroanisole
IUPAC: 2-methoxy-4-methyl-1-nitrobenzene
영어명: 5-METHYL-2-NITROANISOLE
분자식: C8H9NO3
분자량: 167.16

이름 및 동의어

5-Methyl-2-nitroanisole38512-82-22-Methoxy-4-methyl-1-nitrobenzene3-Methoxy-4-nitrotoluene3-Methyl-6-nitroanisoleBenzene, 2-methoxy-4-methyl-1-nitro-2-Methoxy-4-methylnitrobenzeneZJ2GD17DGE2-Nitro-5-methylanisoleEINECS 253-975-1DTXSID80191844NSC-124451

이름 더 보기

4-NITRO-3-METHOXYTOLUENE5-Methyl-2-nitroanisole 99%2-Nitro-5-Methylbenzyl Ether2-Methoxy-4-methylnitrobenzene98%

NSC 124451RefChem:103123DTXCID20114335253-975-1InChI=1/C8H9NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2HXCOUVPWGTSKINY-UHFFFAOYSA-NMFCD000073672-methoxy-4-methyl-1-nitro-benzene

데이터베이스 식별자

CAS: 38512-82-2
PubChem CID: 97455
DTXSID: DTXSID80191844
UNII: ZJ2GD17DGE
EC Number: 253-975-1
Nikkaji: J154.678C

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 166

물리화학적 성질

녹는점: 58 · 58-60 °C(lit.)
끓는 점: 153 °C · 153 °C(Press: 12 Torr)
밀도: 1.18 · 1.180±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
BRN: 2092369 · 2092369
InChI: 1S/C8H9NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3
InChIKey: XCOUVPWGTSKINY-UHFFFAOYSA-N
SMILES: COc1cc(C)ccc1[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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. 4 (100%)；Eye Irrit. 2A (97.5%)

안전 데이터

wgk: 3
HS 번호: 2909309090
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Methyl-2-nitroanisole may be used in chemical synthesis.

상·하류 제품 정보

하류 제품

공급사87 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

上海策嵘生物科技有限公司[email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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