3,3,3-트리플루오로프로필아민

3,3,3-Trifluoropropylamine

HCID 10001

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 460-39-9
표준 SMILES: NCCC(F)(F)F
InChIKey: NGZVNONVXYLYQW-UHFFFAOYSA-N
분자식: C3H6F3N
평균 분자량: 113.08 g/mol
단동위원소 질량: 113.04523368

이름 및 식별자

우선 이름: 3,3,3-Trifluoropropylamine
IUPAC: 3,3,3-trifluoropropan-1-amine
현지명: 3,3,3-트리플루오로프로필아민
영어명: 3,3,3-TRIFLUOROPROPYLAMINE
분자식: C3H6F3N
분자량: 113.08

이름 및 동의어

3,3,3-TrifluoropropylamineRefChem:485097676-291-9460-39-93,3,3-trifluoropropan-1-amineTrifluoropropylamineMFCD016948541-Propanamine, 3,3,3-trifluoro-3,3,3-trifluoro-1-propanamineBRN 17347643,3,3-trifluoro-propylamine3,3,3-TRIFLUOROPROPYL-1-AMINE

이름 더 보기

3,3,3-트리플루오로프로필아민CF3CH2CH2NH23,3,3-trifluoro-propylamin3,3,3-trifluoro-1-propanamin3,3,3-TRIFLUOROBUTYL-1-AMINE3,3,3-Trifluoropropylamine97%1-Amino-3,3,3-trifluoropropane

PROPYLAMINE, 3,3,3-TRIFLUORO-1-Propanamine, 3,3,3-trifluoro- (9CI)SCHEMBL5088019DTXSID10196680FS-55353,3,3-trifluoropropylamine, AldrichCPRBB 0259905EN300-41780

데이터베이스 식별자

CAS: 460-39-9
PubChem CID: 10001
DTXSID: DTXSID10196680
ChEMBL: CHEMBL1162287
EC Number: 676-291-9
Nikkaji: J3.559.514G

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 48

실험 및 물리화학적 성질

Dissociation Constants8.7

물리화학적 성질

끓는 점: 67 °C · 67 °C
밀도: 1.152 · 1.152±0.06 g/cm3(Predicted)
굴절률: 1.3316 · 1.3316
산도 계수 (pKa): 8.18 · 8.18±0.10(Predicted)
물리적 상태: 액체
색상: 투명한
InChI: 1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
InChIKey: NGZVNONVXYLYQW-UHFFFAOYSA-N
SMILES: NCCC(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (40%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H300 (20%): Fatal if swallowed [Danger Acute toxicity, oral]；H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (60%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, 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 5 reports by companies from 4 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. 2 (20%)；Acute Tox. 4 (20%)；Skin Corr. 1B (60%)；Skin Irrit. 2 (40%)；Eye Dam. 1 (40%)；Eye Irrit. 2 (20%)；Acute Tox. 4 (20%)；STOT SE 3 (40%)

안전 데이터

wgk: WGK 3
ridadr: UN2734
HS 번호: 2921199990
risk_code: 41
hazard_code: C
safety_code: 26-39
위험 등급: 8, 3
위험 참고 사항: Corrosive
Hazard Classifications: Acute Tox. 2 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials