4-메틸-2-니트로벤즈알데히드

4-Methyl-2-nitrobenzaldehyde

HCID 590446

기본 정보

CAS
20357-22-6
표준 SMILES
Cc1ccc(C=O)c([N+](=O)[O-])c1
InChIKey
FDYADQPZUDULNK-UHFFFAOYSA-N
분자식
C8H7NO3
평균 분자량
165.15 g/mol
단동위원소 질량
165.04259309

이름 및 식별자

우선 이름
4-Methyl-2-nitrobenzaldehyde
IUPAC
4-methyl-2-nitrobenzaldehyde
현지명
4-메틸-2-니트로벤즈알데히드
영어명
4-Methyl-2-nitrobenzaldehyde
분자식
C8H7NO3
분자량
165.15

이름 및 동의어

4-Methyl-2-nitrobenzaldehyde20357-22-6Benzaldehyde, 4-methyl-2-nitro-p-Tolualdehyde, 2-nitro-DTXSID60343546RefChem:99733DTXCID60294625FDYADQPZUDULNK-UHFFFAOYSA-NMFCD086698952-nitro-4-methylbenzaldehydeSCHEMBL3017185CL9242
이름 더 보기
4-메틸-2-니트로벤즈알데히드4-Methyl-2-nitrobenzaldehyde 98%
AKOS005215975CS-W022211AB46097AS-10040SY114598AMY14425FT-0687009SCHEMBL27923683

데이터베이스 식별자

CAS
20357-22-6
PubChem CID
590446
DTXSID
DTXSID60343546
EC Number
160-837-3
Nikkaji
J101.562A

물성

구조 계산 물성

XLogP
1.6
극성 표면적
62.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
12

물리화학적 성질

끓는 점
309.4 · 309.4±30.0 °C(Predicted)
밀도
1.278 · 1.278±0.06 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI
InChI=1S/C8H7NO3/c1-6-2-3-7(5-10)8(4-6)9(11)12/h2-5H,1H3
InChIKey
FDYADQPZUDULNK-UHFFFAOYSA-N
SMILES
C(=O)C1=CC=C(C)C=C1[N+]([O-])=O

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)

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.

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
2913000090

화학 및 산업

공급사54 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [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]

관련 반응

10건

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