기본 정보
- 표준 SMILES
Cc1cncc(C)c1- InChIKey
HWWYDZCSSYKIAD-UHFFFAOYSA-N- 분자식
- C7H9N
- 평균 분자량
- 107.15 g/mol
- 단동위원소 질량
- 107.07349929
이름 및 식별자
- 우선 이름
- 3,5-Dimethylpyridine
- IUPAC
- 3,5-dimethylpyridine
- 영어명
- 3,5-Lutidine
- 분자식
- C7H9N
- 분자량
- 107.15
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
591-22-0- PubChem CID
- 11565
- DTXSID
DTXSID5052254- UNII
- 6Q4YPZ045V
- EC Number
- 209-708-6
- Nikkaji
- J6.756C
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 12.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 62
실험 및 물리화학적 성질
Physical Description
Liquid
Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Kovats Retention Index
957.7;947.4;963;963;964;952;954;974;957;965;972;987;951;951;917;924.4
980;970;978.9;980.5;963.5;961.4;966;967.7;155.01
1410;1415;1419;1391;1390;1414;1400;1405;1408;1408;1410
물리화학적 성질
- 녹는점
- -9 °C · -9 °C (lit.)
- 끓는 점
- 169 · 169-170 °C (lit.)
- 밀도
- 0.939 g/mL · 0.939 g/mL at 25 °C (lit.)
- 증기압
- 1.5 mm · 1.5 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.504(lit.)
- 인화점
- 128 °F · 128 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 6.15 · 6.15(at 25℃)
- 색상
- 맑은 노란색
- 수용성
- 33 g/L · 33g/L(20℃)
- 비열
- 1.72 J/ · Cp(liquid): 1.72 J/(g·K), at 25℃
- BRN
- 105682 · 105682
- Henry's Law Constant
- 1.4 · 1.4×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
- InChI
- 1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
- InChIKey
- HWWYDZCSSYKIAD-UHFFFAOYSA-N
- SMILES
- Cc1cncc(C)c1
- LogP
- 1.78 · 1.780
- NIST
- 3 · Pyridine, 3,5-dimethyl-(591-22-0)
- EPA
- 3 · 3,5-Dimethylpyridine (591-22-0)
화학적 성질
CLEAR YELLOW LIQUID
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H301+H331 (18.8%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation];H301 (71.8%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (28.2%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (48.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (51%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (32.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (67.8%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (10.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (96%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H330 (10.7%): Fatal if inhaled [Danger Acute toxicity, inhalation];H331 (24.2%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (63.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (77.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 149 reports by companies from 11 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
Regulatory Information
Chemical: Pyridine, 3,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dimethyl- 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: 18-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10608
3,5-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (100%);Acute Tox. 3 (71.8%);Acute Tox. 4 (28.2%);Acute Tox. 3 (48.3%);Acute Tox. 4 (51%);Skin Corr. 1B (32.2%);Skin Irrit. 2 (67.8%);Skin Sens. 1B (10.7%);Eye Dam. 1 (96%);Acute Tox. 2 (10.7%);Acute Tox. 3 (24.2%);Acute Tox. 4 (63.8%);STOT SE 3 (77.2%)
규제 정보
Regulatory Information
Chemical: Pyridine, 3,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dimethyl- 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: 18-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10608
3,5-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29333999
- risk_code
- 10-20/21/22-36/37/38-41-34-23/25-21
- hazard_code
- Xn,F,Xi,T
- safety_code
- 16-26-36-36/37-45-36/37/39
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-11844
- F 고인화성물질
- 8
- 위험 참고 사항
- Irritant/Flammable
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
용도3,5-Lutidine is a reactant used in the synthesis of phthalazine and pyrazine compounds, as well as other pharmaceuticals.
상·하류 제품 정보
상류 원료
하류 제품
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