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오소 포름산 메틸

Trimethyl orthoformate

HCID 9005
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
149-73-5
표준 SMILES
COC(OC)OC
InChIKey
PYOKUURKVVELLB-UHFFFAOYSA-N
분자식
C4H10O3
평균 분자량
106.12 g/mol
단동위원소 질량
106.06299418

이름 및 식별자

우선 이름
Trimethyl orthoformate
IUPAC
trimethoxymethane
현지명
오소 포름산 메틸
영어명
Trimethoxymethane
분자식
C4H10O3
분자량
106.12

이름 및 동의어

TrimethoxymethaneTRIMETHYL ORTHOFORMATE149-73-5Methyl orthoformateMethane, trimethoxy-MethoxymethylalOrthoformic acid methyl esterOrthoformic acid, trimethyl esterOrthomravencan methylnatyOrthoformic acid trimethyl esterMethylester kyseliny orthomravenciNSC 147479
이름 더 보기
오소포름산메틸트리메틸오르토포름염트리메틸오르토포름염TMOFCH(OCH3)3ch(ome)3Trimethyl esterThrimethyl orthoformateorthoformicacidmethylesterTrimethylorthoformiatTrimethyl orthoformate,99%
DTXSID7027122HSDB 1006Orthomravencan methylnaty [Czech]Trimethylester kyseliny orthomravenciEINECS 205-745-7BRN 0969215XAM28819YJMethylester kyseliny orthomravenci [Czech]

데이터베이스 식별자

CAS
149-73-5
PubChem CID
9005
DTXSID
DTXSID7027122
ChEMBL
CHEMBL3187679
UNII
XAM28819YJ
EC Number
205-745-7
Nikkaji
J8.664I

물성

구조 계산 물성보충 중

XLogP
0.2
극성 표면적
27.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
7
형식 전하
0
복잡도
28.4

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Ethers, Other
SpringerMaterials PropertiesSchoenflies notation
OdorPUNGENT ODOR
Density · 2건

0.9676 @ 20 °C/4 °C

0.9676 @ 20°C

Color/FormCOLORLESS LIQUID
SolubilitySOL IN ETHANOL, IN ETHER
Boiling Point · 2건

100.6 °C @ 760 MM HG

100.6 °C @760 [mm Hg]

Vapor Density3.67 (AIR= 1)
Vapor Pressure81.4 [mmHg]
Refractive IndexINDEX OF REFRACTION: 1.3773 @ 25 °C/D
Physical Description · 2건

Liquid

Colorless liquid with a pungent odor; [HSDB]

안전 및 규제

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

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.7% (2 of 294) of reports.

Danger

H225 (99.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 294 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 4건

Chemical: Methane, trimethoxy-

Methane, trimethoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methane, trimethoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 08-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12626

Trimethyl orthoformate: Does not have an individual approval but may be used under an appropriate group standard

Fire PotentialSLIGHT, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS.
Hazards Summary · 1건

A skin, eye, and mucous membrane irritant; [HSDB] Findings in lethal dose animal experiments include cyanosis, loss of muscle tone, and unresponsiveness. [ToxPlanet: IUCLID] Hydrolyzed by water producing methanol; An irritant; [MSDSonline] See Methyl alcohol.

Hazard Classes and Categories · 2건

Flam. Liq. 2 (99.3%)

Flammable liquids - Category 2

Explosive Limits and Potential

화학 및 산업

용도 및 제조

U.S. Production2023: 1,323 lb
Consumer UsesOther
Industry UsesIntermediate
Methods of Manufacturing/IT IS/ PREPARED FROM CHLOROFORM AND METHANOL IN PRESENCE OF SODIUM: SAH, MA, J AM CHEM SOC 54, 2965 (1932).
General Manufacturing Information · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Methane, trimethoxy-: ACTIVE

응용 분야 · 3건

개요Trimethyl orthoformate is an effective solvent for thallium(III) nitrate-mediated oxidations. It undergoes acid catalyzed reaction with 6-(N-D-ribitylanilino) uracils to form 8-demethyl-8-hydroxy-5-deazariboflavins.

용도Trimethyl Orthoformate is the most simple orthoester. Used in organic synthesis as a reagent for introducing a protecting group for aldehydes and in the creation of methoxymethylene groups and heterocyclic ring systems.

일반 설명Trimethyl orthoformate is an effective solvent for thallium(III) nitrate-mediated oxidations. It undergoes acid catalyzed reaction with 6-(N-D-ribitylanilino) uracils to form 8-demethyl-8-hydroxy-5-deazariboflavins.

상·하류 제품 정보

상류 원료

나트륨클로로포름수산화나트륨

하류 제품

6-bromoquinolin-4(3H)-one

관련 반응

1,789건
반응 기록 만들기
HRID 3644 반응식
HRID 3644반응물로uspto-grants-1998_03
HRID 3900 반응식
HRID 3900반응물로uspto-grants-1988_02
HRID 7009 반응식
HRID 7009반응물로uspto-grants-2006_08
HRID 8959 반응식
HRID 8959반응물로uspto-grants-2006_08
HRID 12081 반응식
HRID 12081반응물로uspto-grants-2010_06
HRID 14411 반응식
HRID 14411반응물로uspto-grants-2010_06
HRID 14783 반응식
HRID 14783반응물로uspto-grants-2010_06
HRID 20039 반응식
HRID 20039반응물로uspto-grants-2010_06
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물리화학적 성질

녹는점
-53 °C · -53 °C
끓는 점
101 · 101-102 °C(lit.)
밀도
0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
증기 밀도
3.67 · 3.67 (vs air)
증기압
23.5 mm · 23.5 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.379(lit.)
인화점
60 °F · 60 °F
저장 조건
30 °C · Store below +30°C.
용해도
에테르, 알코올, 벤젠과 섞입니다.
물리적 상태
액체
색상
무색의
폭발한계
1.4 · 1.4-44.6%(V)
수용성
10 g/L · 10g/L(가수분해)
Merck
14 · 14,6884
BRN
969215 · 969215
Henry's Law Constant
6.9 · 6.9×10-1 mol/(m3Pa) at 25℃, Guthrie (1973)
InChI
1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3
InChIKey
PYOKUURKVVELLB-UHFFFAOYSA-N
SMILES
COC(OC)OC
LogP
-0.03 · -0.03-0.09 at 20℃
NIST
Methane, trimethoxy-(149-73-5)
EPA
Trimethoxymethane (149-73-5)
화학적 성질 · 1건

Colorless liquid. Slightly soluble in water, miscible with alcohol and oils.Very diffusive, ethereal, pungent or nauseating odor, pleasant in dilution, slightly wineyfruity, Brandy-like.Sweet taste in concentrations below 100 ppm. Barely perceptible at 10 ppm.

SEE CHLOROFORM: UNPUBLISHED INFORMATION (1948). DURING ATTEMPTED PREPN OF TRIMETHYL ORTHOFORMATE, ADDITION OF SODIUM TO AN INADEQUATELY COOLED CHLOROFORM-METHANOL MIXTURE CAUSED VIOLENT EXPLOSION.

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Human Toxicity ExcerptsAN IRRITANT TO SKIN, EYES, & MUCOUS MEMBRANES.
Toxicity DataLC50 (rat) = 40,000 mg/m3

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
RM6650000
ridadr
UN 3272 3/PG 2
독성
LD50 orally in Rabbit: 3130 mg/kg
HS 번호
29159080
risk_code
11-36
hazard_code
F,Xi
safety_code
9-16-26-29
포장분류
II
위험 등급
3
기존화학 물질
KE-34363
자연 발화 온도
255 °C
Hazard Classifications
Eye Irrit. 2Flam. Liq. 2STOT SE 3
스토리지 클래스
3 - Flammable liquids
유해 물질 데이터
149-73-5(Hazardous Substances Data)
6-Bromo-4-chloroquinoline
5,6-Dihydro-4-methoxy-2H-pyran
4-Trifluoromethyl-N-methylaniline 97
Pipemidic acid
메탄술폰산메틸에스테르
3-메톡시-N-메틸아닐린
N-Methyl-p-anisidine
Ethyl 5-amino-1-pyridin-2-yl-1H-pyrazole-4-carboxylate
N-Boc-5,6,7,8-tetrahydro-3-methoxy-[1,2,4]triazolo[4,3-A]pyrazine ,98%
Methyl trifluoroacetate
4,7-디메톡시-1,10-페난트롤린
Tetramethoxyethylene
브로모포름
터바인;모르피난,6,7,8,14-테트라데하이드로-4,5-알파-에폭시-3,6-다이메톡시-17-메틸-
1,1-디메톡시-2-메틸언데칸
(-)-디메틸D-타르트레이트
파라-아니스알데히드디메틸아세탈
6,7-Dihydro-2-phenyl-5H-pyrrolo[2,1-c]-1,2,4-triazolium chloride
BASIC RED 12