3-브로모-2-니트로톨루엔

Benzene, 1-bromo-3-methyl-2-nitro-

HCID 142929CAS 52414-97-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(Br)c1[N+](=O)[O-]
InChIKey: XDKMDDOCVPNVMB-UHFFFAOYSA-N
분자식: C7H6BrNO2
평균 분자량: 216.03 g/mol
단동위원소 질량: 214.95819

이름 및 식별자

우선 이름: Benzene, 1-bromo-3-methyl-2-nitro-
IUPAC: 1-bromo-3-methyl-2-nitrobenzene
현지명: 3-브로모-2-니트로톨루엔
영어명: 3-BROMO-2-NITROTOLUENE
분자식: C7H6BrNO2
분자량: 216.03

이름 및 동의어

52414-97-8Benzene, 1-bromo-3-methyl-2-nitro-DTXSID10200433RefChem:323655DTXCID101229243-Bromo-2-nitrotoluene1-bromo-3-methyl-2-nitrobenzene6-bromo-2-methyl-1-nitrobenzeneMFCD026736311-bromo-3-methyl-2-nitro-benzenebromonitrotolueneSCHEMBL1496075

이름 더 보기

3-브로모-2-니트로톨루엔3-bromo-2-nitrobenzene2-Nitro-3-Bromo Toluene3-BROMO-2-NITROTOLUENE 98%3-Bromo-2-nitrotoluene,98%3-BROMO-2-NITROTOLUENE,97% min

3-Bromo-2-nitrotoluene, 97%SCHEMBL16956318SCHEMBL21708107SCHEMBL28450045SCHEMBL29410575XDKMDDOCVPNVMB-UHFFFAOYSA-NCL8954GEO-00529

데이터베이스 식별자

CAS: 52414-97-8
PubChem CID: 142929
DTXSID: DTXSID10200433
EC Number: 671-733-7
Nikkaji: J2.550.213B

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 157

물리화학적 성질

녹는점: 25 · 25-29 °C (lit.)
끓는 점: 267 ℃ · 267℃
밀도: 1.612 g/mL · 1.612 g/mL at 25 °C (lit.)
굴절률: 1.612 · 1.6120 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
Specific Gravity: 1.612 · 1.612
InChI: 1S/C7H6BrNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3
InChIKey: XDKMDDOCVPNVMB-UHFFFAOYSA-N
SMILES: Cc1cccc(Br)c1[N+]([O-])=O

화학적 성질

yellow crystalline low melting mass

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): 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 (66.7%): 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 3 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 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29049090
risk_code: 36/37/38-20/21/22
hazard_code: Xn
safety_code: 36/37/39-26-22
스토리지 클래스: 12 - Non Combustible Liquids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [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]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

연결된 노트

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