2,3,5-Trimethylpyridine (HCID 12759)

이름 및 식별자

우선 이름: 2,3,5-Trimethylpyridine
IUPAC: 2,3,5-trimethylpyridine
영어명: 2,3,5-Collidine
분자식: C8H11N
분자량: 121.18

이름 및 동의어

2,3,5-Trimethylpyridine695-98-72,3,5-COLLIDINEPyridine, 2,3,5-trimethyl-EINECS 211-786-133642OT638DTXSID80219734UNII-33642OT638RefChem:81413DTXCID30142225211-786-1GFYHSKONPJXCDE-UHFFFAOYSA-N

이름 더 보기

2,3,5-TrimethyL235CO5-Collidine2,3,5-Collidine, 98%3,5-Trimethylpyridine2,3,5-Collidine, 99+%

2,3,5-Trimethyl pyridineMFCD001268402,3,5-trimethyl-pyridineEsomeprazole Impurity 92,3,5-Trimethyl-pyridinEsomeprazole Impurity 111SCHEMBL74872,3,5-Collidine, 99%

데이터베이스 식별자

CAS: 695-98-7
PubChem CID: 12759
DTXSID: DTXSID80219734
UNII: 33642OT638
EC Number: 211-786-1
Nikkaji: J45.579B

물성

구조 계산 물성

XLogP: 2
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 90

실험 및 물리화학적 성질

Kovats Retention Index · 3건

1055；1060；1045.2

1076

1484

물리화학적 성질

녹는점: -56.98 °C · -56.98°C (estimate)
끓는 점: 184 °C · 184 °C(lit.)
밀도: 0.931 g/mL · 0.931 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.508(lit.)
인화점: 165 °F · 165 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 6.53 · 6.53±0.20(Predicted)
물리적 상태: 액체
Specific Gravity: 0.94 · 0.94
색상: 투명하고 무색에서 아주 약간 노란색을 띤다.
수용성: 약간 용해됨
BRN: 108832 · 108832
InChI: 1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3
InChIKey: GFYHSKONPJXCDE-UHFFFAOYSA-N
SMILES: Cc1cnc(C)c(C)c1
NIST: 2 · Pyridine, 2,3,5-trimethyl-(695-98-7)

화학적 성질

clear colourless to very slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.4%): 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 (10.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): 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 48 reports by companies from 7 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 (10.4%)；Acute Tox. 4 (10.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (10.4%)；STOT SE 3 (95.8%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
HS 번호: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,T,Xn
safety_code: 26-36-36/37
위험 등급: 6.1
기존화학 물질: KE-34676
위험 참고 사항: Toxic
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2,3,5-Collidine is omeprazole intermediate which is the drug involved in proton pump inhibitors to block the production of stomach acid. It is used in the manufacture vitamin D3.