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2,6-Diiodo-4-nitrophenol

HCID 9370
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
305-85-1
표준 SMILES
O=[N+]([O-])c1cc(I)c(O)c(I)c1
InChIKey
UVGTXNPVQOQFQW-UHFFFAOYSA-N
분자식
C6H3I2NO3
평균 분자량
390.9 g/mol
단동위원소 질량
390.82023896

개요

Disophenol appears as light yellow feathery crystals (from glacial acetic acid) or yellow crystalline solid (NTP, 1992) Used against hookworm.

이름 및 식별자

우선 이름
2,6-Diiodo-4-nitrophenol
IUPAC
2,6-diiodo-4-nitrophenol
영어명
2,6-Diiodo-4-nitrophenol
분자식
C6H3I2NO3
분자량
390.9

이름 및 동의어

2,6-Diiodo-4-nitrophenol305-85-1DISOPHENOLPhenol, 2,6-diiodo-4-nitro-DiisophenolDisofenIodofenIodophen2,6-diiod-4-nitrophenolDTXSID404657339S5ZJ6SYNDISOPHEN
이름 더 보기
LABOTEST-BB LT008480712,6-diiodo-4-nitro-pheno4-nitro-2,6-diiodophenol
NSC-94733DTXCID2026573RefChem:589564206-170-4SyngamixAncylol2,6-diiodo-4-nitro-phenolMFCD00007335

데이터베이스 식별자

CAS
305-85-1
PubChem CID
9370
DTXSID
DTXSID4046573
ChEMBL
CHEMBL1361334
ChEBI
CHEBI:81727
UNII
39S5ZJ6SYN
EC Number
206-170-4
Nikkaji
J154.151J

물성

구조 계산 물성

XLogP
2.1
극성 표면적
66.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
12
형식 전하
0
복잡도
172

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Solubilityless than 1 mg/mL at 61 °F (NTP, 1992)
Melting Point306 to 309 °F (NTP, 1992)
Physical DescriptionDisophenol appears as light yellow feathery crystals (from glacial acetic acid) or yellow crystalline solid (NTP, 1992) Used against hookworm.

물리화학적 성질

녹는점
152 · 152-154 °C(lit.)
끓는 점
310.6 · 310.6±42.0 °C(Predicted)
밀도
2.563 · 2.5630 (estimate)
저장 조건
2 · 2-8°C(protect from light)
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
3.85 · 3.85±0.44(Predicted)
색상
옅은 노랑
수용성
매우 드물게 용해됨
Merck
14 · 14,3359
BRN
2052233 · 2052233

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Other Safety InformationIMAP assessments - Phenol, 2,6-diiodo-4-nitro-: Human health tier I assessment
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes. (NTP, 1992)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1건

DISOPHENOL is a halogenated and nitrated phenol. Reacts as a weak acid. Incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. May generate heat with bases.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 2,6-diiodo-4-nitro-: INACTIVE

응용 분야

일반 설명Light yellow feathery crystals (from glacial acetic acid) or yellow crystalline solid Used against hookworm.

상·하류 제품 정보

상류 원료

2-히드록시-5-니트로벤젠술폰산Phenol, 2,4-diiodo-6-nitro-2-요오도-4-니트로페놀2,4,6-트리아이오도페놀2-요오도-6-니트로페놀2,6-diiodophenol(WX191341)페놀2-히드록시-5-니트로벤조산나트륨 페놀산염p-니트로페놀암모니아(가스)

하류 제품

파라-디니트로 벤젠

관련 반응

3건
반응 기록 만들기
HRID 518574 반응식
HRID 518574반응물로uspto-grants-2015_08
HRID 575840 반응식
HRID 575840반응물로uspto-grants-2015_05
HRID 1255378 반응식
HRID 1255378반응물로uspto-grants-2013_06

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
안정성
안정적인.
InChI
InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChIKey
UVGTXNPVQOQFQW-UHFFFAOYSA-N
SMILES
C1(O)=C(I)C=C([N+]([O-])=O)C=C1I
NIST
2 · 2,6-Diiodo-4-nitrophenol(305-85-1)
EPA
2 · 2,6-Diiodo-4-nitrophenol (305-85-1)

화학적 성질

light yellow feathery crystals or yellow crystalline solid

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (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: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-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)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SL0750000
ridadr
UN 2811 6.1/PG 3
독성
LD50 in rats, mice (mg/kg): 170, 212 orally; 105, 88 i.v.; 105, 107 i.p.; 122, 110 s.c. (Kaiser)
risk_code
20/21/22-36/37/38-25
hazard_code
Xn,T
safety_code
26-28-36/37/39-45-28A
포장분류
III
위험 등급
6.1

공급사63 곳

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