4-Methyl-2-nitrobenzoic acid

HCID 255027CAS 27329-27-7

기본 정보

표준 SMILES: Cc1ccc(C(=O)O)c([N+](=O)[O-])c1
InChIKey: KZLLSSGOPIGKDO-UHFFFAOYSA-N
분자식: C8H7NO4
평균 분자량: 181.15 g/mol
단동위원소 질량: 181.0375077

이름 및 식별자

우선 이름: 4-Methyl-2-nitrobenzoic acid
IUPAC: 4-methyl-2-nitrobenzoic acid
영어명: 4-METHYL-2-NITROBENZOIC ACID
분자식: C8H7NO4
분자량: 181.15

이름 및 동의어

4-Methyl-2-nitrobenzoic acidDTXSID20292061RefChem:1071089DTXCID5024320327329-27-7MFCD00033899Benzoic acid, 4-methyl-2-nitro-4-Methyl-2-nitro-benzoic acid4-Methyl-2-nitrobenzoicacidNSC80180NCIOpen2_000870SCHEMBL406111

이름 더 보기

NSC 801802-Nitro-p-toluic acid4-Methyl-2-nitrobenzoic acid 97%4-METHYL-2-NITROBENZOIC ACID 974-METHYL-2-NITROBENZOIC ACID 97 ISO 9001：2015 REACH

CL4137NSC-801804-Methyl-2-nitrobenzoic acid, 97%AKOS015889589AKOS016008510CS-W008031DS-3929AC-28539

데이터베이스 식별자

CAS: 27329-27-7
PubChem CID: 255027
DTXSID: DTXSID20292061
EC Number: 627-464-2
Nikkaji: J1.612.003K

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 83.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 223

물리화학적 성질

녹는점: 160 · 160-164 °C (lit.)
끓는 점: 367.6 · 367.6±30.0 °C(Predicted)
밀도: 1.392 · 1.392±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 2.36 · 2.36±0.25(Predicted)
색상: 갈색
InChI: 1S/C8H7NO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey: KZLLSSGOPIGKDO-UHFFFAOYSA-N
SMILES: Cc1ccc(C(O)=O)c(c1)[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 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 (97.6%)；Skin Sens. 1 (97.6%)

안전 데이터

wgk: 3
HS 번호: 2916399090
risk_code: 22-43
hazard_code: Xn
safety_code: 37/39
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Methyl-2-nitrobenzoic acid is a chemical that can be used for wastewater treatment.

상·하류 제품 정보

상류 원료

Benzamide, 4-methyl-N-8-quinolinyl-4-브로모-2-니트로벤조산 Lithium formate monohydrate 4-요오도-3-니트로톨루엔 물 에틸알코올 2-니트로-파라-자일렌 4-Chloro-3-nitrotoluene 디메틸아연 4-Methyl-2-nitrobenzonitrile

하류 제품

2-Amino-4-methylbenzoic acid 4-Bromo-3-nitrotoluene 4-메틸-2-니트로벤즈알데히드 4-Iodo-3-nitrobenzoic acid 2,3-디나이트로톨루엔 2-Amino-4-methylbenzamide

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海策嵘生物科技有限公司[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]

연결된 노트

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