1-Iodo-3-nitrobenzene

HCID 12574CAS 645-00-1

기본 정보

표준 SMILES
O=[N+]([O-])c1cccc(I)c1
InChIKey
CBYAZOKPJYBCHE-UHFFFAOYSA-N
분자식
C6H4INO2
평균 분자량
249.01 g/mol
단동위원소 질량
248.92867637

개요

Monoclinic prisms or tan solid. (NTP, 1992)

이름 및 식별자

우선 이름
1-Iodo-3-nitrobenzene
IUPAC
1-iodo-3-nitrobenzene
영어명
1-Iodo-3-nitrobenzene
분자식
C6H4INO2
분자량
249.01

이름 및 동의어

1-Iodo-3-nitrobenzene645-00-13-IodonitrobenzeneM-IODONITROBENZENEBenzene, 1-iodo-3-nitro-3-nitroiodobenzeneM-NITROIODOBENZENE3-iodo-1-nitrobenzene3-I-nitrobenzeneiodo-3-nitrobenzenemeta-nitroiodobenzeneDTXSID5025449
이름 더 보기
1-iodo-3-nitro-benzenIodo-3-nitrobenzm-Nitrophenyliodide
F6TCH3TLL9NSC 35383-NITROPHENYL IODIDEEINECS 211-427-93-NITRO-1-IODOBENZENEAI3-15390NSC-3538M-NITROPHENYL IODIDE

데이터베이스 식별자

CAS
645-00-1
PubChem CID
12574
DTXSID
DTXSID5025449
ChEMBL
CHEMBL115511
ChEBI
CHEBI:67123
UNII
F6TCH3TLL9
EC Number
211-427-9
Nikkaji
J96.180I

물성

구조 계산 물성

XLogP
2.9
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density1.9477 at 122 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Flash Point161 °F (NTP, 1992)
Boiling Point536 °F at 760 mmHg (NTP, 1992)

물리화학적 성질

녹는점
36 · 36-38 °C (lit.)
끓는 점
280 °C · 280 °C (lit.)
밀도
1.9477 · 1.9477
인화점
161 °F · 161 °F
저장 조건
Refrigerator (+4°C) + Flammables area
물리적 상태
powder to lump to clear liquid

화학적 성질

yellow to yellow-green powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (89.1%): Flammable solid [Danger Flammable solids]

P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT LabelFlammable Solid
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include irritation of the skin and eyes, methemoglobinemia and cyanosis.
Hazards SummaryA skin and eye irritant; May induce methemoglobinemia; [NTP] A skin and strong eye irritant; May induce methemoglobinemia; Harmful by ingestion and skin absorption; Toxic by inhalation; [Sigma-Aldrich MSDS] See m-Nitrochlorobenzene.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile1-IODO-3-NITROBENZENE is incompatible with strong bases and strong oxidizers. (NTP, 1992)

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 133 [Flammable Solids]:
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is stored, weighed and diluted, wear an approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1325 4.1/PG 2
HS 번호
29049090
risk_code
20/21/22-36/37/38-36-33-11
hazard_code
Xn,F,Xi

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-iodo-3-nitro-: ACTIVE
응용 분야 · 2건

용도1-Iodo-3-nitrobenzene was used in the synthesis of 5-substituted pyrrolo[3,2-b]pyridine amide and 3′-nitro-4-methylthiobiphenyl. It was used in palladium(0) catalyzed cross-coupling reaction between heteroarylzinc iodide and unsaturated iodide.

일반 설명Monoclinic prisms or tan solid.

공급사16 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
广东大小化工有限公司1866-171603 18666171603 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]

추가 설명

정의ChEBI: A C-nitro compound that is nitrobenzene bearing an iodine substituent at C-3.

관련 반응

85건

연결된 노트

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