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1,2,4,5-사메틸 벤젠

Durene

HCID 7269
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
95-93-2
표준 SMILES
Cc1cc(C)c(C)cc1C
InChIKey
SQNZJJAZBFDUTD-UHFFFAOYSA-N
분자식
C10H14
평균 분자량
134.22 g/mol
단동위원소 질량
134.10955045

개요

1,2,4,5-tetramethylbenzene appears as colorless crystals with a camphor-like odor. (NTP, 1992)

이름 및 식별자

우선 이름
Durene
IUPAC
1,2,4,5-tetramethylbenzene
현지명
1,2,4,5-사메틸 벤젠
영어명
1,2,4,5-Tetramethylbenzene
분자식
C10H14
분자량
134.22

이름 및 동의어

1,2,4,5-TETRAMETHYLBENZENEDurene95-93-2DurolBenzene, 1,2,4,5-tetramethyl-p-Xylene, 2,5-dimethyl-DTXSID1029124181426CFYBNSC-6770DTXCID309124CHEBI:38978RefChem:590468
이름 더 보기
1,2,4,5-사메틸벤젠1,2,4,5-테트라메틸벤젠1,2,4,5-테트라메틸벤젠(1,2,4,5-TETRAMETHYLBENZENE)1,2,4,5-TETRAMETHYLBENZENE (DURENE)1,2,4,5-TetramethyL1,2,4,5-TERAMETHYLBENZENEbenzene,1,2,4,5-tetramethyl-Durol[R]1.2.4.5-TetraMThymol Impurity?401,2,4,5-Tetramethylb
202-465-7MFCD000085281,2,4,5-tetramethyl-benzeneCAS-95-93-2NSC 6770EINECS 202-465-7DurenUNII-181426CFYB

데이터베이스 식별자

CAS
95-93-2
PubChem CID
7269
DTXSID
DTXSID1029124
ChEMBL
CHEMBL1797134
ChEBI
CHEBI:38978
UNII
181426CFYB
EC Number
202-465-7
Nikkaji
J4.714G

물성

구조 계산 물성보충 중

XLogP
4
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
10
형식 전하
0
복잡도
80.6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density · 2건

0.8875 at 68 °F (NTP, 1992) - Less dense than water; will float

0.838 @ 81°C

Flash Point · 2건

130 °F (NFPA, 2010)

74 °C

Boiling Point · 2건

386.2 °F at 760 mmHg (NTP, 1992)

196 °C @760 [mm Hg]

Melting Point174.6 °F (NTP, 1992)
Physical Description · 2건

1,2,4,5-tetramethylbenzene appears as colorless crystals with a camphor-like odor. (NTP, 1992)

Colorless solid; [CAMEO]

물리화학적 성질

녹는점
78 °C · 78 °C
끓는 점
196 · 196-197 °C
밀도
0.838 g/mL · 0.838 g/mL at 25 °C(lit.)

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 8.1% (24 of 298) of reports.

Danger

H228 (89.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P273, P280, P370+P378, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 298 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzene, 1,2,4,5-tetramethyl-

Benzene, 1,2,4,5-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Solid
Fire HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Health HazardsExcerpt from ERG Guide 133 [Flammable Solids]:
Reactive GroupHydrocarbons, Aromatic
Reactivity Profile · 1건

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as 1,2,4,5-TETRAMETHYLBENZENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesFlam. Sol. 1 (89.6%)

화학 및 산업

용도 및 제조

UsesOccurs in coal tar; [Merck Index]
General Manufacturing InformationBenzene, 1,2,4,5-tetramethyl-: ACTIVE

응용 분야

용도1,2,4,5-Tetramethylbenzene is used in method for reducing odor in room in remodeling work by removing causative substances.

일반 설명Colorless crystals with a camphor-like odor.

상·하류 제품 정보

상류 원료

1,2,4-트리메틸벤젠Dark green3-자일렌메틸알콜수산화나트륨tetramethylbenzene염화 알루미늄염화메틸Ethanone, 1-(2,3,4,6-tetramethylphenyl)-2,3-디메틸-2-시클로펜텐-1-ONE2,3,4-트리메틸사이클로펜트-2-엔-1-온펜타메틸벤젠

하류 제품

관련 반응

16건
반응 기록 만들기
HRID 94327 반응식
HRID 94327반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 178800 반응식
HRID 178800반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1030848 반응식
HRID 1030848반응물로uspto-grants-1992_04
HRID 1109969 반응식
HRID 1109969반응물로uspto-grants-1994_06
HRID 1142784 반응식
HRID 1142784반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1155178 반응식
HRID 1155178반응물로uspto-grants-1981_11
HRID 1222799 반응식
HRID 1222799반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1680647 반응식
HRID 1680647반응물로uspto-grants-1981_06
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
증기 밀도
4.6 · 4.6 (vs air)
증기압
160 mm · 160 mm Hg ( 140 °C)
굴절률
1.5093 · 1.5093
인화점
165 °F · 165 °F
저장 조건
Flammables area
용해도
0.00348 g/l · 0.00348g/l
물리적 상태
crystals
색상
흰색에서 거의 흰색
Specific Gravity
0.838 · 0.838
냄새
썩은 냄새가 나는 달콤한
수용성
불용성
비열
1.6 J/ · Cp(crystal): 1.6 J/(g·K), at 25℃
Merck
14 · 14,3468
BRN
1903393 · 1903393
Henry's Law Constant
2.49 at · 2.49 at 25 °C (approximate - calculated from water solubility and vapor pressure)
InChI
1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
InChIKey
SQNZJJAZBFDUTD-UHFFFAOYSA-N
SMILES
Cc1cc(C)c(C)cc1C
LogP
4 · 4.000
NIST
1 · Benzene, 1,2,4,5-tetramethyl-(95-93-2)
EPA
1 · 1,2,4,5-Tetramethylbenzene (95-93-2)

화학적 성질

white to brown semi-transparent crystals

안전 및 보호

Fire FightingTo extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam 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: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong 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]:
Protective Action Criteria (PAC) · 3건

21 [mg/m3]

230 [mg/m3]

1400 [mg/m3]

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.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
DC0500000
ridadr
UN 1325 4.1/PG 2
독성
LD50 orally in Rabbit: 6700 mg/kg
HS 번호
29029080
risk_code
11-53-50
hazard_code
F,N
safety_code
16-61
포장분류
III
위험 등급
4.1
기존화학 물질
KE-33556
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1Flam. Sol. 1
스토리지 클래스
4.1B - Flammable solid hazardous materials
2,3,5,6-Tetramethylbenzaldehyde파이로멜리틱 디안하이드리드1,3,5-트라이메틸벤젠1,2,4,5-벤젠테트라카르복실산1,2,3,4-테트라메틸벤젠2,3,5,6-테트라메틸벤젠설포닐클로라이드테트라메틸에프탈산2,3,5,6-테트라메틸페놀2,4-디메틸펜탄